Sugi Predict

Sugi Predict / Compounds / SCHEMBL416580

SCHEMBL416580

SCHEMBL416580

COc1cc(Br)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ G6PD P11413 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ APOBEC3G Q9HC16 1/20 0.68
▸ ALDH1A1 P00352 9/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CTSB P07858 1/20 0.49
▸ CYP19A1 P11511 1/20 0.42
▸ HTT P42858 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL6639064 0.90 MAPT (0.74) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL11377025 0.85 MAPT (0.68) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL11273519 0.84 MAPT (0.66) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL14279783 0.84 MAPT (0.66) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL203087 0.82 MAPT (0.64) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL5038570 0.81 MAPT (0.54) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL18395985 0.80 MAPK1 (0.53) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL4468567 0.80 MAPT (0.53) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9582415 0.80 ALDH1A1 (0.53) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL30577358 0.80 ALDH1A1 (0.53) MAPTMAPK1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT SHANGHAI KECHOW PHARMA, INC. (CN) 2024-09-12 — — US disclosed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 — — CN disclosed
CN-116848100-A NOTCH inhibitors and uses thereof 干细胞协同疗法有限责任公司 2023-10-03 — — CN disclosed
US-20230183215-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-15 — — US disclosed
US-20230183215-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-15 — — US disclosed
EP-4153575-A1 NOTCH INHIBITORS AND USES THEREOF StemSynergy Therapeutics, Inc. (US) 2023-03-29 — — EP disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
WO-2022247760-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT 上海科州药物研发有限公司 2022-12-01 — — WO disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 — — US disclosed
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 — — EP disclosed
CN-1395568-A 1,2-diaryl benzimidazole derivative for treating illnesses associated with microglia activation SCHERING AG (DE) 2003-02-05 — — CN disclosed
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 — — EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 — — US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 — — US disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 — — WO disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 — — EP disclosed
US-4479899-A OF POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1984-10-30 — — US disclosed
US-4452609-A Dyeing red with 2,6-dicyano-2'-sulfonamido-4'-amino-azo-benzenes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 — — 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 (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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 MAPT 1799/4885MAPK1 1064/4885MEN1 3010/4885
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT KRAS, NRAS, HRAS MAPT 701/4885MAPK1 53/4885MEN1 427/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG MAPT 829/4885MAPK1 1255/4885MEN1 3216/4885
US-20230183215-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 MAPT 3735/4885MAPK1 3289/4885MEN1 576/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 MAPT 483/4885MAPK1 4634/4885MEN1 1973/4885

“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.