SCHEMBL1097973

SCHEMBL1097973

[CH2]c1scc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPRT1 P00492 1/20 0.38
ALOX12 P18054 1/20 0.35
CYP1A2 P05177 4/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.33
KEAP1 Q14145 1/20 0.33
CNR2 P34972 1/20 0.32
GPR3 P46089 1/20 0.32
CCR4 P51679 1/20 0.32
MAPT P10636 1/20 0.31

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 0.76 ALDH1A1 (0.43) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2008188 0.74 CYP2A6 (0.41) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6292525 0.72 ALDH1A1 (0.31) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6313109 0.72 ALDH1A1 (0.31) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2008190 0.72 ALDH1A1 (0.42) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1097974 0.72 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL276253 0.72 ALDH1A1 (0.39) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL4895243 0.72 ALDH1A1 (0.39) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL21177767 0.72 CYP2A6 (0.39) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL276255 0.72 CYP1A2 (0.42) CYP2A6ALDH1A1HSD17B10TSHRTDP1

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 149 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
CN-106188022-A The preparation method that Yi Gelie is clean 上海医药工业研究院 2016-12-07 CN 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
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
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
CN-1034175-C pyrazolopyrimidines PFIZER (US) 1997-03-05 CN claimed
CN-1141297-A Pyrazolopyrimidines and pyrrolopyrimidines for treatment of neuronal and other disorders PFIZER (US) 1997-01-29 CN 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
CN-1094048-A Pyrazolopyrimidines PFIZER (US) 1994-10-26 CN 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 1376/4885HSD17B10 1488/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 CYP2A6 26/4885ALDH1A1 1376/4885HSD17B10 1488/4885

“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.