SCHEMBL1356522

SCHEMBL1356522

Cc1nc2cc(C(F)(F)F)ccc2n1-c1cccc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
THRB P10828 1/20 0.61
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MYC P01106 1/20 0.49
POLB P06746 1/20 0.49
HSPA1A P0DMV8 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
NR4A1 P22736 1/20 0.49
PTPN7 P35236 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1356520 0.88 HSD17B10 (0.48) HSD17B10THRBMEN1KMT2AKDM4E
SCHEMBL1356434 0.87 MEN1 (0.47) HSD17B10THRBMEN1KMT2AKDM4E
SCHEMBL12135175 0.87 ALOX15 (0.60) HSD17B10THRBSMN1; SMN2MEN1KMT2A
SCHEMBL1357410 0.86 KMT2A (0.50) HSD17B10THRBMEN1KMT2AKDM4E
SCHEMBL1354990 0.86 MEN1 (0.47) HSD17B10THRBSMN1; SMN2MEN1KMT2A
SCHEMBL12135462 0.86 SIRT2 (0.55) HSD17B10THRBHTTMEN1KMT2A
SCHEMBL1356817 0.86 PTGER4 (0.49) HSD17B10THRBHTTMEN1KMT2A
SCHEMBL12135414 0.85 HSD17B10 (0.46) HSD17B10THRBSMN1; SMN2MEN1KMT2A
SCHEMBL1357620 0.85 THRB (0.53) HSD17B10THRBMEN1KMT2AKDM4E
SCHEMBL12135453 0.85 HSD17B10 (0.48) HSD17B10THRBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-07-29 US claimed
EP-2172454-A1 BENZIMIDAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-07 EP claimed
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
EP-2383573-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER Astellas Pharma Inc. (JP) 2011-11-02 EP disclosed
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-07-29 US disclosed
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-07-29 US disclosed
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-07-29 US disclosed
EP-2172454-A1 BENZIMIDAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-07 EP 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-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER CYP17A1, KLK3, NR5A1 HSD17B10 32/4885THRB 777/4885HTT 4195/4885
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE SHBG, SRD5A1, AR HSD17B10 34/4885THRB 503/4885HTT 3059/4885

“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.