SCHEMBL18150002

SCHEMBL18150002

Cc1ccc(OC(F)F)c(/C=C/c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.44
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GRM5 P41594 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL18150005 1.00 GRM4 (0.44) GRM4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4710891 0.81 CYP1A1 (0.53) GRM4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4710893 0.81 CYP1A1 (0.53) GRM4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL18150099 0.76 DRD1 (0.37) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6381052 0.75 L3MBTL1 (0.45) GRM4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL6381048 0.75 L3MBTL1 (0.45) GRM4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL7261659 0.72 GRM4 (0.40) GRM4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL4710935 0.71 HTR1B (0.45) CYP2D6CYP2C19CYP1A2
SCHEMBL4710936 0.71 HTR1B (0.45) CYP2D6CYP2C19CYP1A2
SCHEMBL18149445 0.71 GRM4 (0.53) GRM4ALDH1A1RAB9AKDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A GRM4 1643/4885ALDH1A1 1402/4885RAB9A 2080/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A GRM4 1643/4885ALDH1A1 1402/4885RAB9A 2080/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A GRM4 1643/4885ALDH1A1 1402/4885RAB9A 2080/4885

“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.