SCHEMBL958061

SCHEMBL958061

COc1cccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccc(F)cc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.74
CPT1B Q92523 3/20 0.74
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 6/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42
CCR3 P51677 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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 0.92 CPT1A (0.80) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL957806 0.91 CPT1A (0.59) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL960972 0.89 CPT1A (0.88) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL962045 0.87 CPT1A (0.83) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL963616 0.86 SMN1; SMN2 (0.56) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL960160 0.85 CPT1A (0.75) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL961344 0.85 CPT1A (0.69) CPT1ACPT1BSMN1; SMN2MEN1KMT2A
SCHEMBL961693 0.85 CPT1A (0.83) CPT1ACPT1BSMN1; SMN2TP53NPSR1
SCHEMBL961678 0.85 CPT1A (1.00) CPT1ACPT1BPTGER4
SCHEMBL959454 0.81 CPT1A (0.71) CPT1ACPT1BMEN1KMT2AMAPT

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.