Sugi Predict

Sugi Predict / Compounds / SCHEMBL2191809

SCHEMBL2191809

SCHEMBL2191809

COc1ccc([N+](=O)[O-])cc1CC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTT P42858 4/20 0.51
▸ ALDH1A1 P00352 9/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ APOBEC3A P31941 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ LCK P06239 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPT P10636 6/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ NPSR1 Q6W5P4 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
SCHEMBL2813500 0.88 HTT (0.55) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL7112871 0.86 ALDH1A1 (0.45) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL8973475 0.82 TDP1 (0.62) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL8964829 0.82 TDP1 (0.62) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL2835652 0.80 MAPT (0.57) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL7880816 0.80 ALDH1A1 (0.47) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL3749821 0.80 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL18216619 0.80 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL4652150 0.80 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL215804 0.80 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 — — EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 — — US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 — — EP disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 — — US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 — — US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 — — WO disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 — — WO disclosed
EP-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 — — EP disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 — — US disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 — — US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 — — EP disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 — — US disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 — — US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 — — EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 — — US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 — — WO disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 — — EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 — — US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 — — WO disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 — — 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 TDP1 809/4885HTT 107/4885ALDH1A1 185/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 TDP1 809/4885HTT 107/4885ALDH1A1 185/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT TDP1 612/4885HTT 2568/4885ALDH1A1 433/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS TDP1 1759/4885HTT 1040/4885ALDH1A1 255/4885
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 TDP1 4089/4885HTT 4460/4885ALDH1A1 588/4885

“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.