SCHEMBL14960698

SCHEMBL14960698

Cc1cccnc1-n1nc(Cl)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
P2RX7 Q99572 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RAB9A P51151 2/20 0.33
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AVPR1A P37288 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
MALT1 Q9UDY8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CYP2A6 P11509 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL14044796 0.85 ALDH1A1 (0.36) TRPV1HSD11B1MALT1ALDH1A1LMNA
SCHEMBL14960680 0.83 TRIM24 (0.36) NPSR1HRH3HSD11B1MEN1KMT2A
SCHEMBL25008720 0.77 HRH3 (0.31) NPSR1P2RX7HRH3HSD11B1MEN1
SCHEMBL3418088 0.71 DHODH (0.38) TRPV1HSD11B1MALT1CYP2A6
SCHEMBL29728418 0.70 ALDH1A1 (0.46) NPSR1KMT2AKDM4EALDH1A1
SCHEMBL28802572 0.70 ALDH1A1 (0.46) NPSR1KMT2AKDM4EALDH1A1
SCHEMBL10119996 0.69 KDM4E (0.47) TRPV1HSD11B1MEN1KMT2AKDM4E
SCHEMBL25082888 0.69 SLC16A3 (0.32) HSD11B1MALT1
SCHEMBL13105266 0.68 CYP17A1 (0.40) TRPV1HSD11B1KDM4EMALT1ALDH1A1
SCHEMBL12925938 0.67 LMNA (0.50) NPSR1KMT2AKDM4EMAPTALDH1A1

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-20130131348-A1 PROCESS FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20130131371-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 TRPV1 2097/4885NPSR1 731/4885P2RX7 3305/4885
US-20130131371-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 TRPV1 2097/4885NPSR1 731/4885P2RX7 3305/4885
US-20130131348-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 TRPV1 2097/4885NPSR1 731/4885P2RX7 3305/4885

“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.