SCHEMBL17322906

SCHEMBL17322906

CC(F)Cn1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 2/20 0.56
TSHR P16473 2/20 0.51
F2RL3 Q96RI0 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.41
RORC P51449 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 1/20 0.41
PDE5A O76074 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL17326655 0.88 HSD17B10 (0.59) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL17322911 0.79 HSD17B10 (0.64) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL17322909 0.76 HSD17B10 (0.56) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL11834058 0.76 HSD17B10 (0.69) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL15631898 0.75 KMT2A (0.74) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL17326656 0.75 HSD17B10 (0.59) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL3621787 0.74 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL17285332 0.73 HSD17B10 (0.65) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL30339813 0.73 KMT2A (0.53) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL17326799 0.73 HSD17B10 (0.60) ALDH1A1KMT2AKDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 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 (1 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-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF CYP11B1, HSP90B1, CYP1B1 ALDH1A1 1340/4885KMT2A 4742/4885KDM4E 4525/4885

“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.