SCHEMBL829335

SCHEMBL829335

CON(C)C(=O)CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.61
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ADRA1A P35348 1/20 0.55
SLC6A3 Q01959 1/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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
SCHEMBL1667586 0.95 ALOX5 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL6465764 0.91 ALOX5 (0.52) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL1727025 0.90 KMT2A (0.62) ALOX5HDAC2HDAC8HDAC6NPC1
SCHEMBL30765759 0.88 ALOX5 (0.57) ALOX5SMN1; SMN2ALDH1A1
SCHEMBL5321740 0.84 ALOX5 (0.55) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL13792415 0.84 ALOX5 (0.77) ALOX5KMT2AALDH1A1
SCHEMBL9835455 0.83 ALOX5 (0.61) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL8358797 0.83 CYP2D6 (0.58) ALDH1A1
SCHEMBL3868251 0.83 HSD17B10 (0.59) ALOX5MAPK1TDP1KMT2A
SCHEMBL8493143 0.82 ALOX5 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143425-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-2099761-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 EP disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 US disclosed
US-20060079562-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY 2006-04-13 US disclosed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
US-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 ALOX5 74/4885HDAC3 247/4885HDAC1 1087/4885
US-20060079562-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHRHR, GHSR, NPY1R ALOX5 3938/4885HDAC3 1840/4885HDAC1 1094/4885
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 ALOX5 780/4885HDAC3 1585/4885HDAC1 1035/4885

“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.