SCHEMBL2752049

SCHEMBL2752049

Cc1ccc(F)cc1NC(=O)NC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.68
▸ RAB9A P51151 8/20 0.68
▸ POLB P06746 1/20 0.68
▸ EPHX1 P07099 2/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ EPHX2 P34913 4/20 0.56
▸ HTT P42858 2/20 0.55
▸ TSHR P16473 1/20 0.54

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
SCHEMBL23230946 0.99 NPC1 (0.71) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL23230469 0.97 NPC1 (0.64) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL2752905 0.85 RAB9A (0.61) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL2751842 0.83 RAB9A (0.70) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL23736045 0.83 RAB9A (0.79) NPC1RAB9AEPHX1SMN1; SMN2KMT2A
SCHEMBL2750640 0.82 RAB9A (0.97) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL18615685 0.81 EPHX2 (0.62) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL27264917 0.81 RAB9A (1.00) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL27267057 0.81 RAB9A (1.00) NPC1RAB9APOLBEPHX1SMN1; SMN2
SCHEMBL8777821 0.80 RAB9A (0.77) NPC1RAB9APOLBEPHX1SMN1; 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 NPC1 4467/4885RAB9A 3880/4885POLB 3691/4885

“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.

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