SCHEMBL6616501

SCHEMBL6616501

O=Cc1ccccc1C(=O)NCCBr

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
PTGS2 P35354 1/20 0.44
HCRTR1 O43613 1/20 0.41
RAB9A P51151 5/20 0.40
HPGD P15428 4/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NLRP3 Q96P20 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7540866 0.90 HTT (0.50) TSHRHTTHCRTR1HPGDNPC1
SCHEMBL9012225 0.88 ALOX5 (0.49) TSHRHTTHCRTR1HPGDSMN1; SMN2
SCHEMBL16157270 0.86 KMT2A (0.41) TSHRHTTHPGDSMN1; SMN2KDM4E
SCHEMBL6609811 0.85 ALDH1A1 (0.51) TSHRHTTHCRTR1RAB9AHPGD
SCHEMBL24696326 0.83 TSHR (0.57) TSHRHTTHCRTR1HPGDKDM4E
SCHEMBL14186001 0.83 HPGD (0.47) TSHRHTTHCRTR1RAB9AHPGD
SCHEMBL11953188 0.83 TSHR (0.45) TSHRHTTHCRTR1RAB9AHPGD
SCHEMBL18074482 0.83 HTT (0.53) TSHRHTTHCRTR1HPGDNPC1
SCHEMBL14185996 0.83 MAOB (0.47) TSHRHTTHCRTR1RAB9AHPGD
SCHEMBL27521277 0.83 HTT (0.45) TSHRHTTHCRTR1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 EP disclosed
US-20120322886-A1 USE OF A SATURATED AMINES COMPOUND IN MANUFACTURE OF MEDICAMENTS FOR MOBILIZING PERIPHERAL BLOOD HEMATOPOIETIC STEM CELL Institute of Transfusion Medicine, Academy of Mili -tary Medical Sciences, Peoples Liberation Army.. (CN) 2012-12-20 US disclosed
EP-2510926-A1 USE OF SATURATED AMINES COMPOUNDS IN MANUFACTURE OF MEDICAMENTS FOR MOBILIZING PERIPHERAL BLOOD HEMATOPOIETIC STEM CELL Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2012-10-17 EP disclosed
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
EP-1282420-A4 HALOGENATED 2-AMINO-3, 4 HEPTENOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORP (US) 2004-12-29 EP disclosed
US-6586471-B1 Oxidoreductase inhibitors such as 2-amino-4-fluoro-7-((1-iminoethyl)amino)-3-heptenoic acid, dihydrochloride used as preferential antiinflammatory and antiproliferative agents G. D. SEARLE 2003-07-01 US disclosed
EP-1282420-A2 HALOGENATED 2-AMINO-3, 4 HEPTENOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-02-12 EP disclosed
WO-2001078654-A2 HALOGENTATED 2-AMINO-3, 4 HEPTENOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-25 WO 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 (1 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-20120322886-A1 USE OF A SATURATED AMINES COMPOUND IN MANUFACTURE OF MEDICAMENTS FOR MOBILIZING PERIPHERAL BLOOD HEMATOPOIETIC STEM CELL CCL11, MYADM, CD14 TSHR 4235/4885HTT 441/4885PTGS2 1738/4885

“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.