SCHEMBL5881887

SCHEMBL5881887

COC(=O)c1ccc2[nH]c(C)c(Cc3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN5 P54829 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HCRTR1 O43613 1/20 0.44
SNCA P37840 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
LMNA P02545 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
SCHEMBL5881993 0.91 PTGS2 (0.47) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL6319384 0.89 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL5882184 0.88 PDE3B (0.56) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL5881620 0.87 PTPN5 (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5882328 0.87 MEN1 (0.56) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL6325133 0.86 POLB (0.49) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL6322574 0.86 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL5881928 0.86 MEN1 (0.50) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL5881795 0.86 MEN1 (0.52) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL5881723 0.86 MEN1 (0.47) KDM4EALDH1A1HSD17B10HPGDALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115647-B2 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 US 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 (1 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-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT KDM4E 2944/4885ALDH1A1 1463/4885HSD17B10 2433/4885

“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.