SCHEMBL1033944

SCHEMBL1033944

COC(=O)c1cccc(Cl)c1CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
NR4A2 P43354 2/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 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
SCHEMBL18299405 0.85 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10NR4A2SLC6A4
SCHEMBL17424940 0.83 TSHR (0.54) KDM4EALDH1A1HSD17B10SLC6A3POLB
SCHEMBL6420919 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10SLC6A4SLC6A3
SCHEMBL667702 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10SLC6A3POLB
SCHEMBL16941944 0.81 NR4A2 (0.49) KDM4EALDH1A1HSD17B10NR4A2SLC6A4
SCHEMBL30281090 0.81 NR4A2 (0.49) KDM4EALDH1A1HSD17B10NR4A2SLC6A4
SCHEMBL1035578 0.80 NR4A2 (0.48) KDM4EALDH1A1HSD17B10NR4A2SLC6A4
SCHEMBL2192561 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10NR4A2SLC6A4
SCHEMBL30364633 0.78 SMN1; SMN2 (0.49) ALDH1A1HSD17B10NR4A2SLC6A4SLC6A3
SCHEMBL3653378 0.78 SMN1; SMN2 (0.49) ALDH1A1HSD17B10NR4A2SLC6A4SLC6A3

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 6 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 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 KDM4E 3727/4885ALDH1A1 601/4885HSD17B10 485/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 KDM4E 4119/4885ALDH1A1 415/4885HSD17B10 461/4885

“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.