SCHEMBL2750640

SCHEMBL2750640

O=C(Nc1ccc(F)cc1F)NC1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.97
▸ NPC1 O15118 7/20 0.97
▸ POLB P06746 1/20 0.97
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ EPHX2 P34913 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ GAA P10253 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ EPHX1 P07099 1/20 0.61
▸ MEN1 O00255 2/20 0.59
▸ HTT P42858 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.57

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
SCHEMBL27267057 0.98 RAB9A (1.00) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL27264917 0.98 RAB9A (1.00) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL16866144 0.94 NPC1 (0.86) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL23573491 0.88 NPC1 (0.77) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL8777821 0.88 RAB9A (0.77) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL23573490 0.88 NPC1 (0.77) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL4983290 0.85 L3MBTL1 (0.76) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL9273863 0.84 NPC1 (0.70) RAB9ANPC1POLBL3MBTL1EPHX2
SCHEMBL2752049 0.82 NPC1 (0.68) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL2752715 0.81 RAB9A (0.97) RAB9ANPC1POLBEPHX2KMT2A

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 4 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
CN-1021819-C PROCESS FOR DIUREA DERIVATIVES USEFUL AS MEDICAMENTS YAMANOUCHI PHARMA CO LTD (JP) 1993-08-18 — — CN disclosed
CN-1034538-A As useful diurea derivatives of medicine and preparation method thereof YAMANOUCHI PHARMA CO LTD (JP) 1989-08-09 — — CN 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 4467/4885POLB 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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