SCHEMBL2384294

SCHEMBL2384294

O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCN(c2nsnc2OCc2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.55
HRH3 Q9Y5N1 1/20 0.50
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNH2 Q12809 1/20 0.46
EPHX1 P07099 1/20 0.45
P2RY12 Q9H244 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
SCHEMBL12250851 1.00 EPHX2 (0.55) EPHX2HRH3KDM1AALDH1A1ALOX15
SCHEMBL5572377 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2385630 0.76 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2383819 0.76 ALDH1A1 (0.67) HRH3ALDH1A1ALOX15TSHRMAPK1
SCHEMBL2384241 0.75 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2382793 0.74 PANK3 (0.54) P2RY12
SCHEMBL2385551 0.74 TRPV1 (0.51) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2384061 0.74 GPR119 (0.63) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2383147 0.74 MEN1 (0.45) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2382772 0.74 TRPV1 (0.49) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR EPHX2 872/4885HRH3 2015/4885KDM1A 347/4885

“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.