SCHEMBL343127

SCHEMBL343127

[NH]c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
PTGS2 P35354 2/20 0.61
CA12 O43570 1/20 0.61
ALOX5 P09917 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
KDR P35968 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
TNF P01375 1/20 0.57
CYP3A4 P08684 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4242531 0.82 ALDH1A1 (0.61) CA1CA2PTGS2CA12ALOX5
SCHEMBL1806915 0.81 ALDH1A1 (0.48) CA1CA2PTGS2CA12ALOX5
SCHEMBL1363629 0.77 CA1 (0.61) CA1CA2PTGS2CA12ALOX5
Gentisic Acid SCHEMBL29349919 0.76 CA1 (1.00) CA1CA2PTGS2CA12ALOX5
Gentisic Acid SCHEMBL3690 0.76 CA1 (1.00) CA1CA2PTGS2CA12ALOX5
Gentisic Acid SCHEMBL30233582 0.76 CA1 (1.00) CA1CA2PTGS2CA12ALOX5
SCHEMBL29904854 0.76 ACMSD (0.83) CA1CA2PTGS2CA12ALOX5
Gentisic Acid SCHEMBL2053863 0.76 CA1 (1.00) CA1CA2PTGS2CA12ALOX5
SCHEMBL2771723 0.76 ACMSD (0.83) CA1CA2PTGS2CA12ALOX5
SCHEMBL81563 0.76 ALDH1A1 (0.63) CA1CA2KDM4EALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223301-B2 Anthrapyridone compound, water-based magenta ink composition and inkjet recording method NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-05-29 US claimed
US-20060219131-A1 Anthrapyridone compound, aqueous magenta ink composition and inkjet recording method NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-10-05 US claimed
EP-1626069-A1 ANTHRAPYRIDONE COMPOUND, AQUEOUS MAGENTA INK COMPOSITION AND INKJET RECORDING METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-02-15 EP claimed
US-4670547-A DYEING COTTON, PAPER, AND LEATHER SANDOZ LTD. (CH) 1987-06-02 US claimed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 US claimed
CN-107012695-B Penetrating fluid for ink jet textile printing, ink jet textile printing method, and ink jet textile printing apparatus 精工爱普生株式会社 2020-08-07 CN disclosed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
EP-2441806-B1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KK (JP) 2017-09-06 EP disclosed
EP-2463345-B1 Ink composition, recording method using the same and recorded material SEIKO EPSON CORP (JP) 2017-01-18 EP disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
EP-2420538-B1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED BODY NIPPON KAYAKU KK (JP) 2015-04-22 EP disclosed
US-7223301-B2 Anthrapyridone compound, water-based magenta ink composition and inkjet recording method NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-05-29 US disclosed
US-20060219131-A1 Anthrapyridone compound, aqueous magenta ink composition and inkjet recording method NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-10-05 US disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 US disclosed
EP-1626069-A1 ANTHRAPYRIDONE COMPOUND, AQUEOUS MAGENTA INK COMPOSITION AND INKJET RECORDING METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-02-15 EP disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 CA1 3572/4885CA2 2868/4885PTGS2 1998/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 CA1 4868/4885CA2 4460/4885PTGS2 2560/4885
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 CA1 4340/4885CA2 3377/4885PTGS2 1489/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.