SCHEMBL1035692

SCHEMBL1035692

O=c1c2ccccc2cc(-c2ccoc2)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
GAA P10253 2/20 0.51
PLA2G1B P04054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
HSP90AB1 P08238 1/20 0.49
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
GPR84 Q9NQS5 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
SRC P12931 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL1034613 0.85 ALDH1A1 (0.56) SMN1; SMN2LMNAGAAALDH1A1RAB9A
SCHEMBL5359543 0.81 ESR1 (0.49) SMN1; SMN2LMNAGAAPLA2G1BHSD17B10
SCHEMBL1032777 0.79 MEN1 (0.50) SMN1; SMN2LMNAGAAALDH1A1RAB9A
SCHEMBL1034643 0.77 KDM4E (0.46) SMN1; SMN2LMNAGAAHSD17B10ALDH1A1
SCHEMBL1033074 0.77 ALDH1A1 (0.51) SMN1; SMN2LMNAGAAALDH1A1RAB9A
SCHEMBL1033233 0.77 F11 (0.45) SMN1; SMN2LMNAGAAALDH1A1RAB9A
SCHEMBL12324355 0.76 MEN1 (0.47) SMN1; SMN2LMNAALDH1A1RAB9ARECQL
SCHEMBL1033487 0.76 ALDH1A1 (0.55) SMN1; SMN2LMNAGAAHSD17B10ALDH1A1
SCHEMBL1034961 0.76 BCL2 (0.48) SMN1; SMN2LMNAGAAALDH1A1RAB9A
SCHEMBL1035993 0.76 ALDH1A1 (0.53) SMN1; SMN2GAAALDH1A1RECQLKDM4E

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
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP claimed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US claimed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US claimed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP claimed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US claimed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 WO claimed
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP disclosed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US disclosed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP disclosed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US disclosed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 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 (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-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents NR1H2, NR1H3, NR1I2 SMN1; SMN2 2403/4885LMNA 1526/4885GAA 2092/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 SMN1; SMN2 2375/4885LMNA 1596/4885GAA 1374/4885

“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.