SCHEMBL13009653

SCHEMBL13009653

O=C(NC(=O)c1ccccc1)N[C@@]1(c2ccccc2F)CCC(OCc2ccccc2)C[C@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.39
EPHX2 P34913 2/20 0.38
TP53 P04637 1/20 0.36
DRD4 P21917 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
CASP3 P42574 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
DPP4 P27487 1/20 0.33
P2RX7 Q99572 1/20 0.32
BCHE P06276 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13061890 1.00 HDAC4 (0.39) HDAC4EPHX2TP53DRD4NPC1
SCHEMBL2108461 0.91 EPHX1 (0.40) HDAC4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2620062 0.91 EPHX1 (0.40) HDAC4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2108463 0.91 EPHX1 (0.40) HDAC4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2108661 0.91 EPHX1 (0.40) HDAC4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2631676 0.91 EPHX1 (0.40) HDAC4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2109607 0.79 EPHX1 (0.42) NPC1RAB9ASMN1; SMN2GAACYP3A4
SCHEMBL2620045 0.79 EPHX1 (0.42) NPC1RAB9ASMN1; SMN2GAACYP3A4
SCHEMBL10280534 0.79 EPHX1 (0.42) NPC1RAB9ASMN1; SMN2GAACYP3A4
SCHEMBL2109591 0.78 EPHX1 (0.41) HDAC4EPHX2NPC1RAB9ASMN1; SMN2

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-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 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-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 HDAC4 2053/4885EPHX2 2378/4885TP53 1141/4885

“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.