SCHEMBL13813873

SCHEMBL13813873

O=c1nc(S)[nH]c(=O)n1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BRDT Q58F21 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TYMS P04818 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ TPO P07202 1/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ TLR7 Q9NYK1 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL12836996 0.81 ALDH1A1 (0.54) KMT2AGAAALDH1A1MAPTTYMS
SCHEMBL325655 0.78 KMT2A (0.50) KMT2AGAASMN1; SMN2HSD17B10BRDT
SCHEMBL18207342 0.72 TLR7 (0.63) TLR7
SCHEMBL16422464 0.71 GAA (0.58) KMT2AGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL30998833 0.70 KMT2A (1.00) KMT2AGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL18033561 0.70 POLB (0.48) KMT2AHSD17B10POLBALDH1A1MAPT
SCHEMBL13813874 0.70 PROKR1 (0.57) KMT2ASMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL4764015 0.69 KMT2A (0.69) KMT2AGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL31325551 0.68 LMNA (0.75) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL17966780 0.67 TP53 (0.53) KMT2ASMN1; SMN2ALDH1A1MAPTMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 — — US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 — — 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-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR KMT2A 4301/4885GAA 1392/4885SMN1; SMN2 3122/4885

“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.

Send feedback