SCHEMBL2656793

SCHEMBL2656793

Cc1ccc([N+](=O)[O-])c(N)c1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.55
CYP3A4 P08684 4/20 0.55
ALDH1A1 P00352 3/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 3/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 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
SCHEMBL2056614 0.85 TSHR (0.57) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL1265339 0.83 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL30711152 0.83 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL2056814 0.83 TSHR (0.60) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL11599278 0.82 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL27293483 0.81 ALDH1A1 (0.57) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL3192674 0.80 TSHR (0.65) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL5313608 0.80 TSHR (0.52) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL16599621 0.80 TSHR (0.52) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2
SCHEMBL241906 0.80 ALDH1A1 (0.47) TSHRCYP3A4ALDH1A1RECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US claimed
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
WO-2025077716-A1 PKMYT1 INHIBITORY COMPOUND AND USE THEREOF 杭州中美华东制药有限公司 2025-04-17 WO disclosed
US-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF INNOVATION INSTITUTE FOR ARTIFICIAL INTELLIGENCE IN MEDICINE OF ZHEJIANG UNIVERSITY (CN) 2025-03-27 US disclosed
US-20240408216-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE JING MEDICINE TECHNOLOGY (SHANGHAI) LTD. (CN) 2024-12-12 US disclosed
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 US disclosed
US-20240309020-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2024-09-19 US disclosed
US-20240269298-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-08-15 US disclosed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 EP disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 CN disclosed
EP-0537611-A1 Process for the preparation of substituted N-(aryl)-1,2,4-triazolopyrimidine-2-sulfonamides DOWELANCO (US) 1993-04-21 EP disclosed
US-5177206-A Process for the preparation of substituted N-(aryl)-1,2,4-triazolopyrimidine-2-sulfonamides DOWELANCO (US) 1993-01-05 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
US-4818753-A FUNGICIDES; SYNERGISTIC EFFECT WITH SULFA DRUGS SRI INTERNATIONAL (US) 1989-04-04 US disclosed
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 US disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (6 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-20240269298-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF EGFR, BLK, CSNK1A1L TSHR 3467/4885CYP3A4 1367/4885ALDH1A1 4631/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS TSHR 4213/4885CYP3A4 4044/4885ALDH1A1 1816/4885
US-20250101052-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION, AND USE THEREOF EGFR, ERBB2, ERBB3 TSHR 973/4885CYP3A4 1197/4885ALDH1A1 2593/4885
US-20240408216-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE PSME1, IDE, PRUNE1 TSHR 4621/4885CYP3A4 1655/4885ALDH1A1 4213/4885
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, EGFR, DPYD TSHR 3561/4885CYP3A4 1621/4885ALDH1A1 1991/4885
US-20240309020-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS TSHR 4393/4885CYP3A4 3974/4885ALDH1A1 2681/4885

“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.