SCHEMBL2958712

SCHEMBL2958712

[CH2]C(C)Cc1cccnn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.39
NLRP3 Q96P20 1/20 0.34
GOT1 P17174 1/20 0.32
CHRM1 P11229 1/20 0.32
HRH1 P35367 1/20 0.32
VNN1 O95497 1/20 0.32
P2RX7 Q99572 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL12089089 0.83 CYP1A2 (0.53) CYP1A2CTDSP1NLRP3GOT1CHRM1
SCHEMBL7986678 0.80 CYP1A2 (0.54) CYP1A2CTDSP1NLRP3GOT1CHRM1
SCHEMBL24923647 0.78 CYP1A2 (0.49) CYP1A2CTDSP1NLRP3GOT1CHRM1
SCHEMBL28844933 0.74 CYP1A2 (0.49) CYP1A2CTDSP1NLRP3GOT1CHRM1
SCHEMBL14167266 0.74 CYP1A2 (0.49) CYP1A2CTDSP1NLRP3GOT1HRH1
SCHEMBL14167452 0.74 CYP1A2 (0.57) CYP1A2CTDSP1NLRP3VNN1P2RX7
SCHEMBL9318794 0.73 GRIN2D (0.56) CYP1A2HRH1GRIN1GRIN2BGRIN2D
SCHEMBL4685897 0.73 GRIN2D (0.56) CYP1A2HRH1GRIN1GRIN2BGRIN2D
SCHEMBL14167085 0.72 CTDSP1 (0.42) CYP1A2CTDSP1NLRP3GOT1CHRM1
SCHEMBL8862816 0.72 GRIN2D (0.64) CYP1A2CTDSP1VNN1GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727782-B1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2012-08-22 EP disclosed
US-7750156-B2 Method of producing aminophenol compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 US disclosed
CN-100478325-C Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2009-04-15 CN disclosed
US-20070219374-A1 Method of Producing Aminophenol Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1938261-A Preparation method for aminophenol compound OTSUKA PHARMA CO LTD (JP) 2007-03-28 CN disclosed
EP-1727782-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-12-06 EP disclosed
WO-2005092832-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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 (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-20070219374-A1 Method of Producing Aminophenol Compounds PAH, CYP1A1, CYP1B1 CYP1A2 8/4885CTDSP1 1795/4885NLRP3 2259/4885

“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.