SCHEMBL959913

SCHEMBL959913

COC(=O)c1ccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3cc(F)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.49
CPT1B Q92523 1/20 0.49
P2RY14 Q15391 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
PTGER4 P35408 3/20 0.44
MAPT P10636 2/20 0.42
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
ENPP2 Q13822 1/20 0.41
FSCN1 Q16658 1/20 0.41
ADORA2A P29274 1/20 0.41
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL963276 0.93 CPT1A (0.58) CPT1ACPT1BP2RY14SMN1; SMN2MEN1
SCHEMBL957803 0.90 CPT1A (0.58) CPT1ACPT1BP2RY14PTGER4ENPP2
SCHEMBL961299 0.84 P2RY14 (0.48) CPT1ACPT1BP2RY14SMN1; SMN2MEN1
SCHEMBL957619 0.82 CPT1A (0.68) CPT1ACPT1BP2RY14PTGER4ENPP2
SCHEMBL959354 0.82 CPT1A (0.60) CPT1ACPT1BP2RY14SMN1; SMN2PTGER4
SCHEMBL963616 0.80 SMN1; SMN2 (0.56) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL959029 0.80 CPT1A (0.55) CPT1ACPT1BP2RY14SMN1; SMN2ALDH1A1
SCHEMBL962045 0.76 CPT1A (0.83) CPT1ACPT1BP2RY14SMN1; SMN2MEN1
SCHEMBL958234 0.75 FSCN1 (0.58) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL20079499 0.74 ENPP2 (0.52) MEN1KMT2APTGER4MAPTRAB9A

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-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 CPT1A 1/4885CPT1B 2/4885P2RY14 1643/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885P2RY14 1643/4885

“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.