SCHEMBL963612

SCHEMBL963612

COC(=O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.65
CPT1B Q92523 3/20 0.65
FSCN1 Q16658 1/20 0.50
PTGER4 P35408 6/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
F2RL3 Q96RI0 1/20 0.43
GCGR P47871 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
BUB1 O43683 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
SCHEMBL958176 0.91 CPT1A (0.70) CPT1ACPT1BFSCN1PTGER4HDAC3
SCHEMBL958522 0.90 CPT1A (0.78) CPT1ACPT1BFSCN1PTGER4HDAC3
SCHEMBL957830 0.89 CPT1A (0.64) CPT1ACPT1BFSCN1PTGER4HDAC3
SCHEMBL962045 0.88 CPT1A (0.83) CPT1ACPT1BMEN1KMT2AGAA
SCHEMBL961367 0.86 CPT1A (0.57) CPT1ACPT1BMEN1KMT2AGAA
SCHEMBL957806 0.86 CPT1A (0.59) CPT1ACPT1BFSCN1PTGER4MEN1
SCHEMBL961344 0.84 CPT1A (0.69) CPT1ACPT1BFSCN1PTGER4GCGR
SCHEMBL957835 0.82 PTGER4 (0.62) CPT1ACPT1BFSCN1PTGER4HDAC1
SCHEMBL24273657 0.81 PTGER4 (0.53) CPT1ACPT1BPTGER4HDAC3HDAC1
SCHEMBL959580 0.81 CPT1A (0.55) CPT1ACPT1BFSCN1PTGER4MEN1

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 2/4885FSCN1 4651/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885FSCN1 4651/4885

“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.