SCHEMBL961017

SCHEMBL961017

CCOC(=O)c1nn(Cc2ccc(OC(F)F)cc2)c2cc(C#N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.46
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPT1A P50416 4/20 0.40
CPT1B Q92523 4/20 0.40
TDP2 O95551 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.37
GPR6 P46095 1/20 0.37
CPT2 P23786 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL961252 0.88 CPT1A (0.47) TSHRSMN1; SMN2CPT1ACPT1BTDP2
SCHEMBL959127 0.86 CPT1A (0.42) ELANELMNASMN1; SMN2CPT1ACPT1B
Hydrochloric Acid SCHEMBL959126 0.85 CPT1A (0.41) ELANELMNASMN1; SMN2CPT1ACPT1B
SCHEMBL959272 0.81 CPT1A (0.41) ELANECPT1ACPT1BMCL1CPT2
SCHEMBL961246 0.81 CPT1A (0.58) ELANEMAPTCPT1ACPT1BMCL1
SCHEMBL959086 0.80 CPT1A (0.38) ELANEMAPTLMNASMN1; SMN2CPT1A
SCHEMBL961365 0.79 ELANE (0.68) ELANEMAPTTDP1LMNATSHR
SCHEMBL959087 0.79 CPT1A (0.42) ELANEMAPTTSHRSMN1; SMN2CPT1A
SCHEMBL962070 0.78 ELANE (0.51) ELANEMAPTTDP1LMNATSHR
SCHEMBL957884 0.74 CPT1A (0.55) CPT1ACPT1BPOLBCPT2KDM4E

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 ELANE 1677/4885MAPT 1763/4885TDP1 670/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885MAPT 1763/4885TDP1 670/4885

“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.