SCHEMBL5876815

SCHEMBL5876815

O=C(c1n[nH]c2c1C=CC(c1ccccc1)C2)N1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.41
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.37
RIPK1 Q13546 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 1/20 0.36
PARP1 P09874 1/20 0.35
SCD5 Q86SK9 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5876366 0.96 HCAR2 (0.42) HCAR2HPGDLMNATSHRALDH1A1
SCHEMBL5876727 0.81 HCAR2 (0.43) HCAR2LMNATSHRRIPK1NPC1
SCHEMBL5878112 0.81 HCAR2 (0.44) HCAR2RIPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5877607 0.80 KDM4E (0.43) HCAR2HPGDLMNAALDH1A1NPC1
SCHEMBL5876509 0.78 NPC1 (0.53) HCAR2ALDH1A1RIPK1NPC1RAB9A
SCHEMBL5876349 0.76 HCAR2 (0.39) HCAR2LMNAALDH1A1NPC1RAB9A
SCHEMBL5876205 0.74 HCAR2 (0.39) HCAR2HPGDLMNANPC1RAB9A
SCHEMBL5876200 0.74 HCAR2 (0.39) HCAR2HPGDLMNANPC1RAB9A
SCHEMBL5876427 0.74 HCAR2 (0.40) HCAR2HPGDLMNANPC1RAB9A
SCHEMBL5876431 0.74 HCAR2 (0.40) HCAR2HPGDLMNANPC1RAB9A

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 HCAR2 398/4885HPGD 315/4885LMNA 4385/4885

“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.