SCHEMBL5876509

SCHEMBL5876509

O=C(NC1CC1)c1n[nH]c2c1C=CC(c1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MAPK8 P45983 1/20 0.45
HCAR2 Q8TDS4 2/20 0.42
SMYD3 Q9H7B4 1/20 0.42
DYRK1A Q13627 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WNT1 P04628 3/20 0.40
LIPG Q9Y5X9 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CDK2 P24941 1/20 0.38
RIPK1 Q13546 1/20 0.36

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
SCHEMBL5878112 0.82 HCAR2 (0.44) NPC1RAB9AHCAR2KMT2ASMN1; SMN2
SCHEMBL5877607 0.81 KDM4E (0.43) NPC1RAB9AHCAR2MEN1KMT2A
SCHEMBL5876727 0.80 HCAR2 (0.43) NPC1RAB9AHCAR2MEN1KMT2A
SCHEMBL5876366 0.79 HCAR2 (0.42) NPC1RAB9AHCAR2MEN1KMT2A
SCHEMBL5876815 0.78 HCAR2 (0.41) NPC1RAB9AHCAR2MEN1KMT2A
SCHEMBL5876431 0.75 HCAR2 (0.40) NPC1RAB9AMAPK8HCAR2DYRK1A
SCHEMBL5876427 0.75 HCAR2 (0.40) NPC1RAB9AMAPK8HCAR2DYRK1A
SCHEMBL5876349 0.75 HCAR2 (0.39) NPC1RAB9AHCAR2MEN1KMT2A
SCHEMBL6615884 0.75 HCAR2 (0.41) NPC1RAB9AHCAR2SMN1; SMN2RIPK1
SCHEMBL5876205 0.74 HCAR2 (0.39) NPC1RAB9AHCAR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US disclosed
EP-1414805-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY Aventis Pharma S.A. (FR) 2004-05-06 EP disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 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 (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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT NPC1 257/4885RAB9A 2565/4885MAPK8 3148/4885

“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.