SCHEMBL6096584

SCHEMBL6096584

C=CCc1nn(CC=C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GLS O94925 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PLK1 P53350 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
SCHEMBL18967143 0.78 KMT2A (0.39) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL3622654 0.78 MAPK1 (0.46) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL12253484 0.78 GLS (0.58) MEN1KMT2AALDH1A1HPGDRXFP1
SCHEMBL18967496 0.73 PARP1 (0.37) MEN1KMT2AALDH1A1HPGDRXFP1
SCHEMBL6946908 0.73 CYP1A2 (0.52) MEN1KMT2AKDM4ENPSR1MAPT
SCHEMBL9042123 0.73 CASP3 (0.41) MEN1KMT2AALDH1A1HPGDRXFP1
SCHEMBL6946941 0.72 CYP1A2 (0.42) MEN1KMT2ACASP3KDM4ENPSR1
SCHEMBL8875584 0.72 ELANE (0.51) —
SCHEMBL5903433 0.71 ESR1 (0.43) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL7298497 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1CASP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998489-B2 Methods of making indazoles ALCON, INC. (CH) 2006-02-14 — — US disclosed
EP-1392659-A4 METHODS OF MAKING INDAZOLES ALCON INC (CH) 2004-10-20 — — EP disclosed
US-20040142998-A1 Methods of making indazoles ALCON, INC. (CH) 2004-07-22 — — US disclosed
EP-1392659-A1 METHODS OF MAKING INDAZOLES Alcon, Inc. (CH) 2004-03-03 — — EP disclosed
WO-2002098862-A1 METHODS OF MAKING INDAZOLES ALCON, INC. (CH) 2002-12-12 — — WO disclosed
WO-2002098861-A1 METHODS OF MAKING 1-(2-AMINOPROPYL)-6-HYDROXYINDAZOLE ALCON, INC. (CH) 2002-12-12 — — 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-20040142998-A1 Methods of making indazoles NAT1, CYP3A5, ALDH3A1 MEN1 3316/4885KMT2A 2228/4885ALDH1A1 22/4885

“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.

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