SCHEMBL2752019

SCHEMBL2752019

Cc1ccc(NC(=O)NC2CCCC2)c(C)c1

nearest known ligand 0.97

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.69
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
EPHX1 P07099 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 1/20 0.56
EPHX2 P34913 3/20 0.55
TSHR P16473 1/20 0.53

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
SCHEMBL2752905 0.88 RAB9A (0.61) HTTRAB9ANPC1EPHX1SMN1; SMN2
SCHEMBL20460448 0.85 EPHX2 (0.58) HTTRAB9ANPC1EPHX1SMN1; SMN2
SCHEMBL2750750 0.85 RAB9A (0.74) HTTRAB9ANPC1EPHX1SMN1; SMN2
SCHEMBL6567595 0.85 KMT2A (0.68) HTTRAB9ANPC1EPHX1SMN1; SMN2
SCHEMBL2753348 0.83 RAB9A (0.63) RAB9ANPC1EPHX1MEN1KMT2A
SCHEMBL2751737 0.81 KMT2A (0.76) HTTRAB9ANPC1EPHX1SMN1; SMN2
SCHEMBL2752803 0.80 KMT2A (0.73) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL813710 0.80 KMT2A (0.79) HTTRAB9ANPC1EPHX1SMN1; SMN2
SCHEMBL11350134 0.80 MEN1 (0.71) HTTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2751970 0.80 EPHX1 (0.69) HTTRAB9ANPC1EPHX1SMN1; 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 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 HTT 3659/4885RAB9A 3880/4885NPC1 4467/4885

“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.