SCHEMBL14960680

SCHEMBL14960680

Cc1cccnc1-n1nc(Br)cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
DHODH Q02127 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SORT1 Q99523 1/20 0.32
CYP2A6 P11509 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR7 P34969 1/20 0.31
PKM P14618 1/20 0.31
OPRL1 P41146 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3418088 0.83 DHODH (0.38) TRIM24TRIM33DHODHHSD11B1CYP2A6
SCHEMBL14960698 0.83 TRPV1 (0.35) NPSR1HRH3HSD11B1MEN1KMT2A
SCHEMBL25008720 0.77 HRH3 (0.31) NPSR1HRH3HSD11B1MEN1KMT2A
SCHEMBL25009057 0.76 SORT1 (0.41) NPSR1DHODHMEN1KMT2ASORT1
SCHEMBL23032142 0.71 ALDH1A1 (0.48) ALDH1A1CYP2C19CYP1A2
SCHEMBL28802572 0.70 ALDH1A1 (0.46) TRIM24TRIM33NPSR1KMT2AALDH1A1
SCHEMBL29728418 0.70 ALDH1A1 (0.46) TRIM24TRIM33NPSR1KMT2AALDH1A1
SCHEMBL29101594 0.69 DHODH (0.39) DHODHALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL25108352 0.69 HCAR1 (0.36) ALDH1A1HTR7
SCHEMBL13105276 0.68 LMNA (0.35) NPSR1DHODHMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785646-B2 Process for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-8541613-B2 Process for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-24 US disclosed
US-8501951-B2 Process for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-06 US disclosed
US-20130131371-A1 PROCESS FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20130131348-A1 PROCESS FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20130131349-A1 PROCESS FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 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 (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-20130131349-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 TRIM24 3788/4885TRIM33 3323/4885NPSR1 731/4885
US-20130131371-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 TRIM24 3788/4885TRIM33 3323/4885NPSR1 731/4885
US-20130131348-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 TRIM24 3788/4885TRIM33 3323/4885NPSR1 731/4885

“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.