SCHEMBL2404067

SCHEMBL2404067

Cc1cc2nc(CC(=O)N(C)C3CC3)[nH]c2cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
PSMD14 O00487 1/20 0.48
MMP2 P08253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL2407792 0.85 KMT2A (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2406469 0.80 F10 (0.47) MEN1MAPTKMT2ATDP1CYP1A2
SCHEMBL10885693 0.76 MEN1 (0.60) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL31735460 0.76 MEN1 (0.60) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL9302316 0.75 PTAFR (0.51) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL1971840 0.75 CYP1A2 (0.53) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL3382220 0.74 HSD17B10 (0.66) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL19115947 0.72 MAPT (0.61) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL11222676 0.69 KMT2A (0.68) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL7853107 0.69 KMT2A (0.72) MEN1PSMD14MMP2MAPTKMT2A

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 MEN1 525/4885PSMD14 2621/4885MMP2 4443/4885

“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.