SCHEMBL4437873

SCHEMBL4437873

Cc1ccc([N+](=O)[O-])cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
TSHR P16473 5/20 1.00
ALDH1A1 P00352 8/20 0.74
TDP1 Q9NUW8 6/20 0.74
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
HTT P42858 1/20 0.56
ALOX15 P16050 2/20 0.55
ACHE P22303 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
PDE4A P27815 1/20 0.50
BLM P54132 1/20 0.50
PDE1B Q01064 1/20 0.50
PMP22 Q01453 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL2313 1.00 CYP3A4 (1.00) CYP3A4TSHRALDH1A1TDP1GAA
Hydrochloric Acid SCHEMBL27699078 0.98 CYP3A4 (0.96) CYP3A4TSHRALDH1A1TDP1GAA
Water SCHEMBL7777064 0.98 CYP3A4 (0.96) CYP3A4TSHRALDH1A1TDP1GAA
Aniline SCHEMBL22169148 0.89 CYP3A4 (0.80) CYP3A4TSHRALDH1A1TDP1GAA
Guanidine SCHEMBL1644175 0.88 CYP3A4 (0.77) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL13138664 0.86 TSHR (0.76) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL85646 0.85 ALDH1A1 (1.00) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL29116826 0.84 CYP3A4 (0.71) CYP3A4TSHRALDH1A1TDP1GAA
Hydrochloric Acid SCHEMBL8873960 0.83 ALDH1A1 (0.96) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL11855244 0.83 TSHR (0.69) CYP3A4TSHRALDH1A1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713276-A1 A SYSTEM FOR SORTING OBJECTS, IN PARTICULAR BAGGAGE, PARCELS, POSTAL ITEMS OR LOOSE OBJECTS Leonardo S.p.A. (IT) 2026-03-25 EP claimed
US-12195630-B2 Pigment ink dispersions, tattoo inks containing the pigment ink dispersions, and method of making the same BARTH MARIO (US) 2025-01-14 US claimed
CN-118569994-A Automatic grouping-based security APP user behavior activation analysis method and related equipment 国元证券股份有限公司 2024-08-30 CN claimed
CN-117116394-A Method for calculating connectivity of interface transition areas around egg-shaped aggregate particles 河北工业大学 2023-11-24 CN claimed
CN-116339151-A Electric aircraft electric propeller thermal management system, control method and terminal 西北工业大学 2023-06-27 CN claimed
EP-3894757-B1 DISTRIBUTION PUMP ARRANGEMENT FOR A HYDRAULIC DISTRIBUTION SYSTEM HAVING CHANGING FLOWING DIRECTION E ON SVERIGE AB (SE) 2023-01-25 EP claimed
CN-113888721-B Three-dimensional image feature design method based on integer-fractional order orthogonal polynomial 西北工业大学 2022-09-16 CN claimed
CN-114966332-A Degradation judgment method for disc-shaped suspension type porcelain insulator string based on temperature curve similarity 湖南湖大华龙电气与信息技术有限公司 2022-08-30 CN claimed
CN-113421423-B Networked vehicle cooperative point rewarding method for single-lane traffic accident dispersion 吉林大学 2022-05-06 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20260100055-A1 SYSTEMS AND METHODS FOR DETECTING TRAFFIC LIGHT VIOLATIONS VERIZON PATENT AND LICENSING INC. (US) 2026-04-09 US disclosed
US-12597475-B2 Memory system, control method thereof, and program KIOXIA CORPORATION (JP) 2026-04-07 US disclosed
EP-4713276-A1 A SYSTEM FOR SORTING OBJECTS, IN PARTICULAR BAGGAGE, PARCELS, POSTAL ITEMS OR LOOSE OBJECTS Leonardo S.p.A. (IT) 2026-03-25 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO 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-12195630-B2 Pigment ink dispersions, tattoo inks containing the pigment ink dispersions, and method of making the same TYR, TH, COMT CYP3A4 283/4885TSHR 2985/4885ALDH1A1 843/4885
US-20260100055-A1 SYSTEMS AND METHODS FOR DETECTING TRAFFIC LIGHT VIOLATIONS TGOLN2, GOLGA3, ELMO1 CYP3A4 1799/4885TSHR 2333/4885ALDH1A1 3608/4885
US-12597475-B2 Memory system, control method thereof, and program RER1, RIOK2, RIOK1 CYP3A4 3959/4885TSHR 1926/4885ALDH1A1 4790/4885

“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.