SCHEMBL4581787

SCHEMBL4581787

Cc1ccc(-c2ccc(N)nc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.50
NOS2 P35228 2/20 0.50
NOS1 P29475 1/20 0.50
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
BACE1 P56817 2/20 0.42
NCK1 P16333 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41

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
SCHEMBL1256198 0.88 NOS3 (0.50) NOS3NOS2NOS1NPC1RAB9A
SCHEMBL4497002 0.84 BACE1 (0.47) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL4499287 0.84 NOS3 (0.47) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL4581784 0.84 NOS3 (0.47) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL11008096 0.83 NOS3 (0.50) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL28335499 0.83 MEN1 (0.51) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL11069575 0.82 NOS3 (0.48) NOS3NOS2NOS1NPC1RAB9A
SCHEMBL1528907 0.81 KMT2A (0.49) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL16835898 0.80 NOS3 (0.47) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL17795529 0.78 CYP1A2 (0.40) MEN1KMT2ANPC1RAB9ASMN1; 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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB NOS3 1649/4885NOS2 1792/4885NOS1 1942/4885

“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.