SCHEMBL15053383

SCHEMBL15053383

C[C@@H](Nc1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 6/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTR6 P50406 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.36
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL15053385 1.00 TSHR (0.47) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL31531593 1.00 TSHR (0.47) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL15053342 0.88 TSHR (0.38) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL15053345 0.88 TSHR (0.38) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL31364846 0.85 TSHR (0.43) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL15052689 0.85 TSHR (0.47) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL14993373 0.85 TSHR (0.47) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL15053052 0.85 CCR2 (0.41) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL15053054 0.85 CCR2 (0.41) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL14992719 0.84 MAPK1 (0.46) TSHRMAPK1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056065-A1 CHEMOKINE RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION, AND USE 上海医药集团股份有限公司 2025-03-20 WO disclosed
US-10647696-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX, INC. (US) 2020-05-12 US disclosed
US-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. 2018-05-10 US disclosed
US-9790204-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX, INC. (US) 2017-10-17 US disclosed
EP-2785710-B1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX INC (US) 2017-09-20 EP disclosed
US-20160185756-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. 2016-06-30 US disclosed
US-9150550-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX, INC. (US) 2015-10-06 US disclosed
US-9150550-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX, INC. (US) 2015-10-06 US disclosed
US-20140121195-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-05-01 US disclosed
US-20140121195-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-05-01 US disclosed
US-20130165423-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. (US) 2013-06-27 US disclosed
US-20130165423-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. (US) 2013-06-27 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 (5 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-20130165423-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 TSHR 2717/4885MAPK1 2876/4885MAPT 3395/4885
US-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 TSHR 2717/4885MAPK1 2876/4885MAPT 3395/4885
US-20160185756-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 TSHR 2717/4885MAPK1 2876/4885MAPT 3395/4885
US-20140121195-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 TSHR 2717/4885MAPK1 2876/4885MAPT 3395/4885
US-10647696-B2 Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CCR4, CCR1, CCR3 TSHR 2717/4885MAPK1 2876/4885MAPT 3395/4885

“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.