SCHEMBL15075967

SCHEMBL15075967

Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.49
NOTUM Q6P988 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPA1 O75762 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
AURKA O14965 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL10280262 0.85 RXFP1 (0.69) RXFP1CYP1A2POLBMAPTKMT2A
SCHEMBL15384325 0.81 CYP1A2 (0.50) RXFP1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL10130856 0.81 TRPA1 (0.54) RXFP1ALDH1A1CYP3A4CYP1A2POLB
SCHEMBL1065288 0.79 TRPA1 (0.71) RXFP1ALDH1A1CYP3A4CYP1A2POLB
SCHEMBL15384477 0.77 CYP1A2 (0.50) RXFP1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL15384326 0.77 CYP1A2 (0.49) RXFP1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL15075649 0.76 TRPA1 (0.54) RXFP1CYP3A4POLBMAPTMEN1
SCHEMBL1066111 0.76 TRPA1 (0.48) RXFP1ALDH1A1CYP1A2POLBNPC1
SCHEMBL15075651 0.76 RXFP1 (0.49) RXFP1CYP3A4CYP1A2POLBTRPA1
SCHEMBL17609690 0.75 MAPK1 (0.47) RXFP1CYP3A4CYP1A2POLBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 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 (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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RXFP1 3119/4885NOTUM 813/4885ALDH1A1 1104/4885

“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.