SCHEMBL961344

SCHEMBL961344

O=C(Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.69
CPT1B Q92523 3/20 0.69
SMN1; SMN2 Q16637 6/20 0.48
FSCN1 Q16658 1/20 0.47
PTGER4 P35408 4/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
GCGR P47871 1/20 0.42
CDC7 O00311 1/20 0.42
CNR1 P21554 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL962451 0.93 CPT1A (0.80) CPT1ACPT1BSMN1; SMN2FSCN1PTGER4
SCHEMBL958176 0.90 CPT1A (0.70) CPT1ACPT1BFSCN1PTGER4RAB9A
SCHEMBL957806 0.89 CPT1A (0.59) CPT1ACPT1BSMN1; SMN2FSCN1PTGER4
SCHEMBL960972 0.88 CPT1A (0.88) CPT1ACPT1BSMN1; SMN2FSCN1PTGER4
SCHEMBL17199433 0.86 SMN1; SMN2 (0.53) CPT1ACPT1BSMN1; SMN2FSCN1PTGER4
SCHEMBL958522 0.86 CPT1A (0.78) CPT1ACPT1BFSCN1PTGER4LMNA
SCHEMBL957830 0.86 CPT1A (0.64) CPT1ACPT1BSMN1; SMN2FSCN1PTGER4
SCHEMBL958061 0.85 CPT1A (0.74) CPT1ACPT1BSMN1; SMN2PTGER4RAB9A
SCHEMBL963612 0.84 CPT1A (0.65) CPT1ACPT1BFSCN1PTGER4RAB9A
SCHEMBL30695062 0.84 FSCN1 (0.67) CPT1ACPT1BSMN1; SMN2FSCN1PTGER4

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 CPT1A 1/4885CPT1B 2/4885SMN1; SMN2 3238/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885SMN1; SMN2 3238/4885

“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.