SCHEMBL2753005

SCHEMBL2753005

Cc1cc(C)cc(NC(=O)NC2CCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.70
NPC1 O15118 8/20 0.70
EPHX1 P07099 7/20 0.69
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
EPHX2 P34913 3/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL11431700 0.93 RAB9A (0.60) RAB9ANPC1EPHX1LMNANPSR1
SCHEMBL25993053 0.84 EPHX2 (0.67) RAB9ANPC1EPHX1SMN1; SMN2EPHX2
SCHEMBL2751880 0.84 RAB9A (0.97) RAB9ANPC1EPHX1LMNANPSR1
SCHEMBL10144126 0.83 NPC1 (0.72) RAB9ANPC1EPHX1LMNANPSR1
SCHEMBL15975491 0.83 RAB9A (1.00) RAB9ANPC1EPHX1LMNANPSR1
SCHEMBL2750450 0.83 EPHX1 (0.97) RAB9ANPC1EPHX1GAASMN1; SMN2
SCHEMBL10211642 0.82 NPC1 (0.51) RAB9ANPC1EPHX1LMNANPSR1
SCHEMBL21779872 0.81 NPC1 (0.49) RAB9ANPC1EPHX1LMNANPSR1
SCHEMBL813709 0.81 EPHX1 (1.00) RAB9ANPC1EPHX1GAASMN1; SMN2
SCHEMBL2751970 0.81 EPHX1 (0.69) RAB9ANPC1EPHX1NPSR1GAA

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-8178570-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 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-20060293342-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR RAB9A 3880/4885NPC1 4467/4885EPHX1 1178/4885

“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.