Sugi Predict

Sugi Predict / Compounds / SCHEMBL365880

SCHEMBL365880

SCHEMBL365880

CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ HCAR3 P49019 1/20 0.60
▸ MAPK1 P28482 5/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.56
▸ TDP1 Q9NUW8 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ RECQL P46063 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
Phosphonic Acid SCHEMBL27291442 0.92 MAPT (0.56) MAPTHCAR3MAPK1MEN1KMT2A
Alcohol SCHEMBL5697786 0.92 MAPT (0.56) MAPTHCAR3MAPK1MEN1KMT2A
SCHEMBL7357317 0.90 MAPT (0.55) MAPTHCAR3MAPK1MEN1KMT2A
Aniline SCHEMBL27777480 0.87 MAPT (0.61) MAPTHCAR3MAPK1MEN1KMT2A
SCHEMBL4631056 0.85 MAPT (0.54) MAPTMAPK1MEN1KMT2AHTT
SCHEMBL11554160 0.85 MAPT (0.56) MAPTHCAR3MAPK1MEN1KMT2A
SCHEMBL10138690 0.84 HCAR3 (0.53) MAPTHCAR3MAPK1MEN1KMT2A
SCHEMBL7996823 0.84 MAPT (0.64) MAPTHCAR3MEN1KMT2AHTT
SCHEMBL31715811 0.84 MAPT (0.73) MAPTMAPK1MEN1KMT2AHTT
SCHEMBL5350139 0.82 MEN1 (0.52) MAPTHCAR3MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689873-B Preparation method of deuterated terbutaline 北京理工大学 2021-04-23 — — CN claimed
CN-111763475-A Single-component polyurethane waterproof coating 湖北九阳防水材料科技有限公司 2020-10-13 — — CN claimed
CN-111689873-A Preparation method of deuterated terbutaline 北京理工大学 2020-09-22 — — CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN claimed
EP-2346836-B1 PROCESSES FOR THE PREPARATION OF BENDAMUSTINE CEPHALON INC (US) 2018-03-07 — — EP claimed
CN-102177140-B For the preparation of the method for bendamustine CEPHALON, INC. (US) 2016-01-27 — — CN claimed
US-8420829-B2 Processes for the preparation of bendamustine CEPHALON, INC. (US) 2013-04-16 — — US claimed
CN-102993102-A Synthetic method of [1-methyl-2-(8'-octyl hydroxamic acid group)-5-N,N-bi(2'-chloroethyl)]-1H-benzimidazole Hangzhou minsheng pharmaceutical group co ltd 2013-03-27 — — CN claimed
US-20120291931-A1 COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF MCDERMOTT WILL & EMERY 2012-11-22 — — US claimed
US-20110190509-A1 Processes for the Preparation of Bendamustine CEPHALON, INC. (US) 2011-08-04 — — US claimed
EP-2346836-A1 PROCESSES FOR THE PREPARATION OF BENDAMUSTINE Cephalon, Inc. (US) 2011-07-27 — — EP claimed
US-20100096050-A1 MODIFIER FOR EXPLOSIVES LIMITED LIABILITY COMPANY IFO 2010-04-22 — — US claimed
WO-2010042568-A1 PROCESSES FOR THE PREPARATION OF BENDAMUSTINE CEPHALON, INC. (US) 2010-04-15 — — WO claimed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 — — WO claimed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 — — US claimed
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 — — US disclosed
US-20240067952-A1 REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT UNIV YALE (US) 2024-02-29 — — US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 — — US disclosed
US-4001408-A SUBSTITUTED HETEROCYCLIC COMPOUNDS, PROCESSES AND COMPOSITION INCLUDING THOSE ROUSSEL-UCLAF (FR) 1977-01-04 — — US disclosed
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 — — 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 (4 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-20110190509-A1 Processes for the Preparation of Bendamustine THPO, FOLR1, FOLR2 MAPT 976/4885HCAR3 3757/4885MAPK1 2235/4885
US-20240067952-A1 REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT PLAUR, CD47, CD14 MAPT 3491/4885HCAR3 498/4885MAPK1 3224/4885
US-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS MAPT 3378/4885HCAR3 773/4885MAPK1 4785/4885
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CLIC1 MAPT 4672/4885HCAR3 162/4885MAPK1 1791/4885

“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.