SCHEMBL6092822

SCHEMBL6092822

CC(=O)C(c1ccc(Cl)cc1)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
AOC3 Q16853 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
FFAR2 O15552 1/20 0.41
TSHR P16473 1/20 0.40
ADRB2 P07550 1/20 0.39
MAPT P10636 2/20 0.38
FSCN1 Q16658 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL7259111 0.98 BRD4 (0.53) BRD4ALDH1A1GAAAOC3HDAC4
SCHEMBL755751 0.84 ALDH1A1 (0.47) BRD4ALDH1A1GAAAOC3HDAC4
SCHEMBL28761618 0.83 AOC3 (0.44) BRD4ALDH1A1GAAAOC3HDAC4
SCHEMBL13748371 0.82 MDM2 (0.48) BRD4ALDH1A1GAAAOC3HDAC4
SCHEMBL13661682 0.82 CHRNA7 (0.50) ALDH1A1LMNASMN1; SMN2
SCHEMBL888806 0.81 BRD4 (0.43) BRD4ALDH1A1GAAAOC3HDAC4
SCHEMBL12861266 0.80 ALDH1A1 (0.47) BRD4ALDH1A1GAATSHRFSCN1
Hydrochloric Acid SCHEMBL7255632 0.80 CHRNA7 (0.48) ALDH1A1LMNASMN1; SMN2
SCHEMBL13388983 0.80 AOC3 (0.42) ALDH1A1AOC3HDAC4HDAC7HDAC5
Hydrochloric Acid SCHEMBL3453552 0.80 ESR1 (0.46) BRD4ALDH1A1GAATSHRMAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 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 (9 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BRD4 235/4885ALDH1A1 201/4885GAA 179/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS BRD4 1915/4885ALDH1A1 241/4885GAA 638/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BRD4 3443/4885ALDH1A1 365/4885GAA 285/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BRD4 235/4885ALDH1A1 201/4885GAA 179/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 BRD4 319/4885ALDH1A1 287/4885GAA 433/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L BRD4 310/4885ALDH1A1 132/4885GAA 169/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BRD4 3443/4885ALDH1A1 365/4885GAA 285/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 BRD4 423/4885ALDH1A1 250/4885GAA 346/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BRD4 3443/4885ALDH1A1 365/4885GAA 285/4885

“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.