Sugi Predict

Sugi Predict / Compounds / SCHEMBL978709

SCHEMBL978709

SCHEMBL978709

CNc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ KAT2B Q92831 3/20 0.56
▸ MAPT P10636 6/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ GRK6 P43250 2/20 0.48
▸ HCAR3 P49019 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7258796 0.85 TSHR (0.62) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL9081742 0.83 TSHR (0.60) TSHRCYP3A4KAT2BMAPTKMT2A
SCHEMBL28837008 0.83 TSHR (0.60) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL1812600 0.83 TSHR (0.60) TSHRCYP3A4KAT2BMAPTKMT2A
SCHEMBL7466967 0.82 KAT2B (0.71) TSHRCYP3A4KAT2BMAPTGRK6
SCHEMBL27183310 0.81 TSHR (0.53) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL30873006 0.81 TSHR (0.53) TSHRCYP3A4KAT2BMAPTALDH1A1
SCHEMBL8616062 0.81 MAPT (0.55) TSHRCYP3A4MAPTKMT2AALDH1A1
SCHEMBL11554160 0.81 MAPT (0.56) TSHRMAPTKMT2AALDH1A1CYP1A2
SCHEMBL2974822 0.80 CYP3A4 (0.60) TSHRCYP3A4KAT2BMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 — — US disclosed
CN-107849015-A benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2018-03-27 — — CN disclosed
US-9636345-B2 Benzimidazole derivatives useful TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 — — US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 — — US disclosed
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 — — WO disclosed
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-04 — — US disclosed
US-8981113-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2015-03-17 — — US disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 — — US disclosed
WO-2014100730-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 — — WO disclosed
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 — — US disclosed
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP disclosed
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP disclosed
CN-1901917-A (3-oxo-3, 4-dihydro-quinoxalin-2-yl-amino) -benzamide derivatives and related compounds as glycogen phosphorylase inhibitors for the treatment of diabetes and obesity JANSSEN PHARMACEUTICA NV (BE) 2007-01-24 — — CN disclosed
EP-1711184-A1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 — — EP disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 — — WO disclosed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 — — US disclosed
EP-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 — — EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 — — US disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 — — EP disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 — — 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 TSHR 4507/4885CYP3A4 1408/4885KAT2B 575/4885
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 TSHR 2223/4885CYP3A4 1852/4885KAT2B 1714/4885
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 TSHR 2134/4885CYP3A4 2333/4885KAT2B 1753/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 TSHR 4507/4885CYP3A4 1408/4885KAT2B 575/4885
US-20050148586-A1 Quinoxalinones SLC5A2, GPR119, GLS2 TSHR 3961/4885CYP3A4 188/4885KAT2B 2895/4885

“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.