SCHEMBL1097974

SCHEMBL1097974

Cc1scc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.48
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 5/20 0.43
TSHR P16473 4/20 0.39
HSD17B10 Q99714 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
CCR4 P51679 1/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPRT1 P00492 1/20 0.36
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL13261664 0.74 ALDH1A1 (0.43) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8404419 0.73 CYP1A2 (0.55) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL13261701 0.73 CYP2A6 (0.38) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL2008188 0.72 CYP2A6 (0.41) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL1097973 0.72 CYP2A6 (0.41) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL15780702 0.71 CCR4 (0.40) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8404418 0.71 CYP1A2 (0.48) CYP2A6ALDH1A1CYP1A2HSD17B10TDP1
SCHEMBL8404417 0.71 CYP1A2 (0.48) CYP2A6ALDH1A1CYP1A2HSD17B10TDP1
SCHEMBL23029706 0.70 SREBF2 (0.42) CYP2A6ALDH1A1CYP1A2HSD17B10TDP1
SCHEMBL6313115 0.70 CYP2A6 (0.48) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP claimed
EP-3101017-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2016-12-07 EP claimed
EP-2142534-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2016-08-10 EP claimed
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2016-01-28 US claimed
WO-2014111493-A1 SUBSTITUTED BENZIMIDAZOLYL PHOSPHINE COMPOUNDS AND A METHOD FOR DECARBOXYLATING CARBON-CARBON LINKING SALTIGO GMBH (DE) 2014-07-24 WO claimed
US-8153659-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2012-04-10 US claimed
EP-2142534-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2010-01-13 EP claimed
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION 2009-01-01 US claimed
WO-2008115516-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-09-25 WO claimed
EP-1089963-B1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2004-06-16 EP claimed
US-6458779-B1 TREATMENT OF CONDITIONS ASSOCIATED WITH EXCESS PRODUCTION OF SOLUBLE CD23 (S-CD23) SUCH AS AUTOIMMUNE DISEASE AND ALLERGY. THE COMPOUNDS OF THE INVENTION ARE ALSO INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR (TNF). SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-01 US claimed
US-6235753-B1 TUMOR NECROSIS FACTOR; AUTOIMMUNE DISEASES; ANTIALLERGENS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US claimed
US-6218397-B1 FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES PFIZER INC 2001-04-17 US claimed
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 EP claimed
US-6051578-A Pyrazolopyrimidines for treatment of CNS disorders PFIZER INC. (US) 2000-04-18 US claimed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US claimed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP claimed
EP-0729758-A2 Pyrazolopyrimidines and pyrrolopyrimidines for treatment of neuronal and other disorders PFIZER INC. (US) 1996-09-04 EP claimed
EP-0674642-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 EP claimed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CYP2A6 26/4885ALDH1A1 1376/4885CYP1A2 19/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 CYP2A6 26/4885ALDH1A1 1376/4885CYP1A2 19/4885

“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.