SCHEMBL1036027

SCHEMBL1036027

CSc1ccc(-c2cc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.44
P2RX4 Q99571 1/20 0.44
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1033487 0.88 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1033581 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1032101 0.85 MEN1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1030620 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1032272 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1036794 0.79 PGR (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1033970 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1034939 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1033163 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1034613 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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 ALDH1A1 601/4885MEN1 4349/4885KMT2A 3097/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 ALDH1A1 415/4885MEN1 4476/4885KMT2A 3367/4885

“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.