SCHEMBL5878112

SCHEMBL5878112

O=C(c1n[nH]c2c1C=CC(c1ccccc1)C2)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.44
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RIPK1 Q13546 3/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL5876727 0.95 HCAR2 (0.43) HCAR2NPC1RAB9ARIPK1MAPT
SCHEMBL6615884 0.91 HCAR2 (0.41) HCAR2NPC1RAB9ARIPK1MAPT
SCHEMBL5876431 0.83 HCAR2 (0.40) HCAR2NPC1RAB9A
SCHEMBL5876427 0.83 HCAR2 (0.40) HCAR2NPC1RAB9A
SCHEMBL5876509 0.82 NPC1 (0.53) HCAR2NPC1RAB9ARIPK1SMN1; SMN2
SCHEMBL5877607 0.81 KDM4E (0.43) HCAR2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5876366 0.81 HCAR2 (0.42) HCAR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5876815 0.81 HCAR2 (0.41) HCAR2NPC1RAB9ARIPK1SMN1; SMN2
SCHEMBL5877819 0.80 HCAR2 (0.36) HCAR2NPC1RAB9A
SCHEMBL5877821 0.80 HCAR2 (0.36) HCAR2NPC1RAB9A

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 398/4885NPC1 257/4885RAB9A 2565/4885

“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.