SCHEMBL93221

SCHEMBL93221

O=C=Nc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPA1 O75762 1/20 0.43
CYP2A6 P11509 1/20 0.42
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
PLAU P00749 1/20 0.41
GLB1 P16278 1/20 0.41
CTRB1 P17538 1/20 0.41
CTRC Q99895 1/20 0.41
CYP1A2 P05177 1/20 0.40
NOS1 P29475 2/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ESR1 P03372 1/20 0.34

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
Methylene Chloride SCHEMBL28101789 0.91 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL7523448 0.89 CYP3A4 (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL11025348 0.87 MAPT (0.47) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL15430 0.86 CYP3A4 (0.70) CYP3A4TSHRMAPK1TDP1TRPA1
Ammonia Solution, Strong SCHEMBL28239770 0.83 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL27741428 0.83 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
Water SCHEMBL28889229 0.83 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL23721668 0.78 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL9742856 0.78 CYP2A6 (0.47) CYP3A4TSHRMAPK1TDP1CYP2A6
SCHEMBL333218 0.78 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1TRPA1

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 1721 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119381575-A Secondary battery and electronic device 宁德新能源科技有限公司 2025-01-28 CN claimed
EP-3581600-B1 RESIN LENS AND PREPARATION METHOD THEREFOR EFIRM NEW MAT CO LTD (CN) 2025-01-08 EP claimed
CN-115557936-B Preparation method and application of pomalidomide derivative serving as feed additive 河南湾流生物科技有限公司 2024-12-06 CN claimed
CN-118738578-B Secondary battery and electronic device 宁德新能源科技有限公司 2024-11-22 CN claimed
CN-115960017-B Modified acrylic ester monomer and photo-curable resin thereof 上海华峰龙湾技术有限公司 2024-11-22 CN claimed
CN-118738578-A Secondary battery and electronic device 宁德新能源科技有限公司 2024-10-01 CN claimed
CN-118437602-A Method for improving interlayer binding force of epoxy primer and polyurethane finish paint and application 洛阳船舶材料研究所(中国船舶集团有限公司第七二五研究所) 2024-08-06 CN claimed
CN-117964892-A Modified macromer, preparation method thereof and application thereof in polymer polyol 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-114651898-B Triazole feed additive for improving immunity as well as preparation method and application thereof 天津溢佳同惠科技集团有限公司 2024-04-05 CN claimed
CN-114014838-B Compound and preparation method and application thereof 山东师范大学 2024-03-19 CN claimed
CN-101704773-A Phenyl isocyanate-based urethane acrylates, processes for making and methods of using the same BAYER MATERIALSCIENCE AG 2010-05-12 CN claimed
EP-2154129-A1 Phenylisocyanate based urethanacrylate with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP claimed
EP-2154128-A1 Phenylisocyanate based urethanacrylates with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP claimed
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME BAYER MATERIALSCIENCE AG (DE) 2010-02-11 US claimed
US-20090216006-A1 COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION XU HUI 2009-08-27 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-5229243-A Addition polymer core, polyurethane or polythiourethane shell KAO CORPORATION (JP) 1993-07-20 US claimed
CN-1019576-B Preparation of 3,4-dihydro-2-alkyl-3-oxo-N-aryl-2H-[1] benzothieno [3,2-E]-1,2-thiazine-4-carboxamide-1,1-dioxides PFIZER (US) 1992-12-23 CN claimed
US-4359426-A Process for the production of aromatic isocyanates containing aromatically bound sulfochloride groups BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US claimed
EP-0034711-A2 Process for preparing aromatic isocyanates with aromatically bound sulfochloride groups BAYER AG (DE) 1981-09-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME GRHPR, CBR1, C1S CYP3A4 783/4885TSHR 2098/4885MAPK1 681/4885

“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.