SCHEMBL963616

SCHEMBL963616

COc1cccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3ccc(F)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CPT1A P50416 1/20 0.54
CPT1B Q92523 1/20 0.54
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ADORA3 P0DMS8 1/20 0.47
PTGER4 P35408 2/20 0.47
KDM4C Q9H3R0 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR3 P51677 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL959029 0.90 CPT1A (0.55) SMN1; SMN2CPT1ACPT1BNPC1RAB9A
SCHEMBL959354 0.88 CPT1A (0.60) SMN1; SMN2CPT1ACPT1BNPC1RAB9A
SCHEMBL963276 0.88 CPT1A (0.58) SMN1; SMN2MEN1KMT2ACPT1ACPT1B
SCHEMBL958061 0.86 CPT1A (0.74) SMN1; SMN2MEN1KMT2ACPT1ACPT1B
SCHEMBL957619 0.84 CPT1A (0.68) CPT1ACPT1BPTGER4KDM4CADORA2A
SCHEMBL958234 0.81 FSCN1 (0.58) SMN1; SMN2MEN1KMT2ACPT1ACPT1B
SCHEMBL959913 0.80 CPT1A (0.49) SMN1; SMN2MEN1KMT2ACPT1ACPT1B
SCHEMBL958894 0.79 CPT1A (0.48) SMN1; SMN2MEN1KMT2ACPT1ACPT1B
SCHEMBL962451 0.78 CPT1A (0.80) SMN1; SMN2MEN1KMT2ACPT1ACPT1B
SCHEMBL957803 0.77 CPT1A (0.58) CPT1ACPT1BPTGER4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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 (2 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 SMN1; SMN2 3238/4885MEN1 3398/4885KMT2A 3304/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 SMN1; SMN2 3238/4885MEN1 3398/4885KMT2A 3304/4885

“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.