SCHEMBL958290

SCHEMBL958290

COc1ccc(Cl)cc1Cn1nc(CSc2ccc(C#N)cc2)c2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A4 P31645 1/20 0.35
PTGER1 P34995 2/20 0.34
AKR1B1 P15121 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
GPR6 P46095 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL958431 0.82 NLRP3 (0.35) MEN1KMT2AKDM4ESMN1; SMN2PTGER1
SCHEMBL963406 0.80 MEN1 (0.45) MEN1KMT2ASLC6A4PTGER1AKR1B1
SCHEMBL958359 0.80 MEN1 (0.43) MEN1KMT2ASLC6A4PTGER1AKR1B1
SCHEMBL961733 0.70 MEN1 (0.50) MEN1KMT2AKDM4ETSHRHSD17B10
SCHEMBL14039238 0.64 HPGD (0.42) MEN1KMT2AKDM4ESMN1; SMN2TSHR
SCHEMBL1692626 0.63 ESRRA (0.40) CNR1SLC6A4GPR6NR3C1PGR
SCHEMBL962070 0.62 ELANE (0.51) KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL958978 0.60 MCL1 (0.49) MEN1KMT2ATSHRNPSR1
SCHEMBL3200970 0.60 CNR1 (0.70) CNR1
SCHEMBL14627346 0.59 CYP1A2 (0.53) SMN1; SMN2TSHRPTGER1AKR1B1MAPT

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 CNR1 731/4885MAOA 2099/4885MAOB 1370/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CNR1 731/4885MAOA 2099/4885MAOB 1370/4885

“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.