Sugi Predict

Sugi Predict / Compounds / SCHEMBL2119829

SCHEMBL2119829

SCHEMBL2119829

Cc1cc([N+](=O)[O-])cc(N)c1N

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.62
▸ CYP3A4 P08684 5/20 0.62
▸ TDP1 Q9NUW8 5/20 0.62
▸ TSHR P16473 5/20 0.60
▸ HTT P42858 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ GPR35 Q9HC97 2/20 0.48
▸ GAA P10253 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP19A1 P11511 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ RECQL P46063 1/20 0.41

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
SCHEMBL3600387 0.89 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL1666961 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL6672266 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL11043450 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL2056616 0.80 TSHR (0.61) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL8505242 0.80 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL760393 0.80 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL3297288 0.80 XDH (0.57) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL2144780 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL12826092 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 — — US disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 — — CN disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 — — CN disclosed
CN-109400536-A A kind of N substituted benzimidazole diamines and preparation method thereof 东华大学 2019-03-01 — — CN disclosed
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-05 — — US disclosed
US-8455507-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 — — US disclosed
US-20120141398-A1 HAIR DYE CONTAINING ONE OR MORE EDIBLE OR COSMETIC COLORS CHUANG KUO SHENG (TW) 2012-06-07 — — US disclosed
CN-102485201-A Hair dye containing one or more edible pigment or cosmetic pigment and hair dyeing method thereof GUOSHENG ZHUANG 2012-06-06 — — CN disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 — — US disclosed
CN-102397170-A Plant hair dye and method for dyeing hair by using same GUOSHENG ZHUANG 2012-04-04 — — CN disclosed
CN-101679386-A Aminopyrimidines useful as kinase inhibitors VERTEX PHARMA 2010-03-24 — — CN disclosed
EP-2146982-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-27 — — EP disclosed
WO-2008128009-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 — — WO disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 — — US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 — — EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 — — WO disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 — — EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 — — US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 — — 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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 ALDH1A1 988/4885CYP3A4 430/4885TDP1 3499/4885
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB ALDH1A1 2557/4885CYP3A4 3320/4885TDP1 173/4885
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB ALDH1A1 2557/4885CYP3A4 3320/4885TDP1 173/4885

“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.