SCHEMBL7981585

SCHEMBL7981585

CNC(=O)c1ccc(F)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.51
GAA P10253 2/20 0.47
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
HPGD P15428 3/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC2 Q92769 1/20 0.38
IKBKB O14920 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL7499222 0.85 F2R (0.51) F2RGAACES2CES1HPGD
SCHEMBL909599 0.81 CES2 (0.61) GAACES2CES1KMT2AALDH1A1
SCHEMBL7462377 0.80 GAA (0.46) GAACES2CES1HPGDKMT2A
SCHEMBL1774955 0.79 GAA (0.48) GAACES2CES1HPGDALDH1A1
Hydrochloric Acid SCHEMBL29775858 0.79 CES2 (0.59) GAACES2CES1KMT2AALDH1A1
SCHEMBL7980249 0.79 GAA (0.48) GAACES2CES1HPGDKMT2A
SCHEMBL30480694 0.79 F2R (0.48) F2RCES2CES1KMT2APKM
SCHEMBL120277 0.79 F2R (0.48) F2RCES2CES1KMT2APKM
SCHEMBL25270267 0.78 CES2 (0.50) F2RCES2CES1HPGDPKM
SCHEMBL852652 0.78 SLC6A4 (0.47) F2RGAACES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105330560-A Enzalutamide intermediate preparation method FERGUSON WUHAN BIOTECHNOLOGY CO LTD 2016-02-17 CN disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 F2R 2804/4885GAA 1904/4885CES2 429/4885

“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.