Sugi Predict

Sugi Predict / Compounds / SCHEMBL1706183

SCHEMBL1706183

SCHEMBL1706183

CCC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.65
▸ MEN1 O00255 5/20 0.65
▸ MAPT P10636 8/20 0.64
▸ LMNA P02545 4/20 0.64
▸ HTT P42858 3/20 0.64
▸ HPGD P15428 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ POLB P06746 3/20 0.64
▸ ALDH1A1 P00352 5/20 0.62
▸ PKM P14618 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ NAMPT P43490 1/20 0.58
▸ GAA P10253 1/20 0.58

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
SCHEMBL19396761 0.91 MAPT (0.59) KMT2AMEN1MAPTLMNAHTT
SCHEMBL13093155 0.91 KMT2A (0.80) KMT2AMEN1MAPTLMNAHTT
SCHEMBL14871553 0.88 KMT2A (0.59) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9018657 0.87 MEN1 (0.71) KMT2AMEN1MAPTLMNAHTT
SCHEMBL4378184 0.86 KMT2A (0.83) KMT2AMEN1MAPTLMNAHTT
SCHEMBL23811 0.84 KMT2A (0.62) KMT2AMEN1MAPTLMNAHTT
SCHEMBL12417100 0.84 MAPT (0.68) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7741358 0.84 MEN1 (0.67) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7121725 0.83 KMT2A (0.70) KMT2AMEN1MAPTLMNAHTT
SCHEMBL13715510 0.83 MEN1 (0.61) KMT2AMEN1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218375-A A kind of synthetic method of 2-methyl-4-nitrobenzoic acid DING YUQIN 2016-01-06 — — CN claimed
US-3988347-A NITROSATION OF A 2-METHYL-ACETANILIDE WITH SODIUM NITRITE TENNECO CHEMICALS, INC. (US) 1976-10-26 — — US claimed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 — — US disclosed
CN-111285872-B Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-05-17 — — CN disclosed
CN-107635553-B Pyrimidine derivatives as kinase inhibitors and their therapeutic use 常山凯捷健生物药物研发（河北）有限公司 2020-08-14 — — CN disclosed
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 — — EP disclosed
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 — — US disclosed
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 — — US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 — — US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 — — US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 — — US disclosed
WO-2000008174-A9 β-CASEIN EXPRESSING CONSTRUCTS ABBOTT LAB (US) 2000-08-03 — — WO disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 — — WO disclosed
US-5861535-A Reductive alkylation process to prepare tertiary aminoaryl compounds EASTMAN KODAK COMPANY (US) 1999-01-19 — — US disclosed
EP-0542867-A4 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS — 1993-07-28 — — EP disclosed
EP-0542867-A1 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS GENSIA, INC. (US) 1993-05-26 — — EP disclosed
CN-1011784-B Process for preparing antiallergic and antimuscotromospasm agents N-benzhydryldiazacycloalkylalkyl anilides RECKORDATY CHEMICALS CORP (CH) 1991-02-27 — — CN disclosed
US-4675319-A Antianaphylactic and antibronchospastic piperazinyl-(N-substituted phenyl)carboxamides, compositions and use RECORDATI S. A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-06-23 — — US disclosed
CN-86105641-A The method for preparing antianaphylaxis and antibronchospasm of N-dibenzyl-diazacyclo alkyl-alkyl-anilide — 1987-04-01 — — CN disclosed
EP-0207901-A1 Antianaphylactic and antibronchospastic N-benzhydryldiazacycloalkylalkananilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1987-01-07 — — 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 (3 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-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK KMT2A 1204/4885MEN1 3796/4885MAPT 3445/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 KMT2A 3608/4885MEN1 4313/4885MAPT 2615/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 KMT2A 1721/4885MEN1 479/4885MAPT 4461/4885

“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.