SCHEMBL2407792

SCHEMBL2407792

Cc1ccc2nc(CC(=O)N(C)C3CC3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PIN1 Q13526 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.43
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.42
USP2 O75604 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL2404067 0.85 MEN1 (0.48) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2406469 0.85 F10 (0.47) KMT2APOLBNPC1RAB9ACYP1A2
SCHEMBL10881198 0.77 KMT2A (0.64) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL1971261 0.76 KMT2A (0.62) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL31735534 0.76 HSD17B10 (0.71) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL3840420 0.76 HSD17B10 (0.71) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2406603 0.72 HTR2A (0.47) KMT2ARAB9AMEN1
SCHEMBL15947556 0.71 KMT2A (0.72) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2404975 0.71 KMT2A (0.41) KMT2APOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2405758 0.71 KMT2A (0.41) KMT2APOLBSMN1; SMN2NPC1RAB9A

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMT2A 253/4885POLB 4374/4885SMN1; SMN2 3751/4885

“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.