SCHEMBL5445840

SCHEMBL5445840

Oc1ccc(CBr)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.57
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 5/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B2 P37059 3/20 0.44
DBH P09172 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
PIK3CA P42336 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
SCHEMBL31174283 0.83 CA2 (0.53) CA2HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL31174277 0.83 CA2 (0.53) CA2HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL11651990 0.82 TSHR (0.50) CA2HSD17B10TSHRCYP3A4CA1
SCHEMBL9773533 0.81 CA2 (0.61) CA2HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL71042 0.81 HSD17B10 (0.63) CA2HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL507053 0.79 CA2 (0.59) CA2HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL31256667 0.79 CA2 (0.59) CA2HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL1693883 0.79 CA2 (0.59) CA2HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL10128 0.78 IDO1 (0.58) IGF1RALOX15CYP4F2CYP4A11
SCHEMBL29413271 0.78 IDO1 (0.58) IGF1RALOX15CYP4F2CYP4A11

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539078-B Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2023-04-07 CN claimed
CN-114539078-A Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2022-05-27 CN claimed
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
CN-114544571-B Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2023-04-18 CN disclosed
CN-114539078-B Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2023-04-07 CN disclosed
CN-114544571-A Method for constructing bioorthogonal reaction base paper device and application of bioorthogonal reaction base paper device in monoamine oxidase detection 南京工业大学 2022-05-27 CN disclosed
CN-114539078-A Active small molecular probe for specifically sorting monoamine oxidase, preparation method and application thereof 南京工业大学 2022-05-27 CN disclosed
US-8476455-B2 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2013-07-02 US disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2007-05-17 US disclosed
EP-1694650-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2006-08-30 EP disclosed
WO-2005058842-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2005-06-30 WO disclosed
EP-1544195-A1 1-N-phenyl-amino- 1H-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2005-06-22 EP 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 (2 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-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA CA2 422/4885HSD17B10 155/4885TSHR 1026/4885
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them H1-0, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA2 2378/4885HSD17B10 4450/4885TSHR 2960/4885

“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.