SCHEMBL5881955

SCHEMBL5881955

COC(=O)c1ccc2[nH]c(C)c(Cc3ncc4ccccc4c3Br)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX12 P18054 1/20 0.43
KIF11 P52732 1/20 0.43
PTPN5 P54829 1/20 0.43
FLT3 P36888 1/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
HCRTR1 O43613 2/20 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
SCHEMBL5882574 0.89 PTPN5 (0.50) KDM4EALDH1A1HPGDCASP1MEN1
SCHEMBL5881974 0.89 KDM4E (0.47) GPR84KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5882307 0.83 GPR84 (0.50) GPR84KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5882048 0.80 MCL1 (0.38) MEN1KMT2ASMN1; SMN2ATMMAPT
SCHEMBL5881937 0.77 PTPN5 (0.50) KDM4EALDH1A1HPGDCASP1MEN1
SCHEMBL5882184 0.73 PDE3B (0.56) GPR84KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5882112 0.73 PTPN5 (0.64) GPR84KDM4EALDH1A1HSD17B10HPGD
SCHEMBL16880081 0.72 NR4A2 (0.50) GPR84KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5881952 0.72 PTPN5 (0.53) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL5882473 0.72 PTPN5 (0.55) GPR84KDM4EALDH1A1HSD17B10HPGD

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 GPR84 4333/4885KDM4E 2944/4885ALDH1A1 1463/4885

“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.