SCHEMBL5583231

SCHEMBL5583231

O=C(Cc1ccccc1)Nc1ccc2[nH]c3c(c2c1)CCCc1c[nH]nc1-3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
AURKA O14965 3/20 0.46
TTK P33981 1/20 0.44
ROCK2 O75116 2/20 0.43
CDK2 P24941 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
NAMPT P43490 1/20 0.41
CCKBR P32239 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL6071573 0.82 MAPK10 (0.56) NPC1RAB9AAURKATTKROCK2
SCHEMBL6070772 0.76 MAPK10 (0.55) NPC1RAB9AAURKAROCK2MEN1
SCHEMBL6071322 0.73 MAPK10 (0.54) NPC1RAB9AAURKATTKROCK2
SCHEMBL6071128 0.73 RAB9A (0.47) NPC1RAB9ATTKMEN1KMT2A
SCHEMBL4728731 0.73 CCKBR (0.65) NPC1RAB9AAURKAROCK2MEN1
SCHEMBL6070734 0.70 GSK3B (0.47) CDK2KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL6070840 0.69 ROCK2 (0.55) NPC1RAB9AAURKAROCK2MEN1
SCHEMBL12659268 0.69 AURKA (0.47) AURKACDK2KMT2AAURKBALDH1A1
SCHEMBL12658899 0.68 AURKA (0.38) NPC1RAB9AAURKACDK2SMN1; SMN2
SCHEMBL147307 0.68 ROCK2 (0.73) NPC1RAB9AROCK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 NPC1 4855/4885RAB9A 4338/4885AURKA 680/4885

“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.