SCHEMBL583717

SCHEMBL583717

Cc1cc(C(N)=O)cc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3281481 0.85 LMNA (0.48) POLBSMN1; SMN2HTTLMNAPARP1
SCHEMBL1179736 0.85 POLB (0.50) POLBSMN1; SMN2HTTLMNAKMT2A
SCHEMBL4928556 0.82 SMN1; SMN2 (0.46) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL501900 0.82 SMN1; SMN2 (0.55) POLBALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL29561847 0.82 SMN1; SMN2 (0.46) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL348783 0.82 SMN1; SMN2 (0.46) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL24198700 0.81 ALDH1A1 (0.42) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL2745951 0.79 ALDH1A1 (0.49) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL5042745 0.78 POLB (0.53) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL19641722 0.78 LMNA (0.47) POLBHTTLMNAPARP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715395-A 6-amino-5, 6, 7, 8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as TAAR modulators 豪夫迈·罗氏有限公司 2017-05-24 CN claimed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US claimed
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2017-12-28 US disclosed
CN-106715395-A 6-amino-5, 6, 7, 8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as TAAR modulators 豪夫迈·罗氏有限公司 2017-05-24 CN disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
CN-102388032-B Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INT 2015-01-14 CN disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN 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 (5 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 POLB 1929/4885ALDH1A1 315/4885MAPK1 3703/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 POLB 4355/4885ALDH1A1 1687/4885MAPK1 38/4885
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX POLB 1037/4885ALDH1A1 1095/4885MAPK1 3513/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 POLB 2653/4885ALDH1A1 728/4885MAPK1 102/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 POLB 4121/4885ALDH1A1 876/4885MAPK1 1305/4885

“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.