SCHEMBL13490307

SCHEMBL13490307

COc1cc(OC)cc(C(=O)NC2CCCC(c3nc4ccc(C)cc4[nH]3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRM5 P41594 1/20 0.43
LMNA P02545 1/20 0.43
CXCR6 O00574 1/20 0.43
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
FLT3 P36888 1/20 0.42
USP2 O75604 1/20 0.42
HPGDS O60760 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
SCHEMBL3199183 0.93 MEN1 (0.49) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL3213604 0.93 MEN1 (0.51) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL13490422 0.90 MEN1 (0.47) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL3214583 0.90 MEN1 (0.47) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL3217312 0.90 MEN1 (0.48) RAB9AMEN1KMT2AMAPTGRM5
SCHEMBL13490421 0.90 MEN1 (0.48) RAB9AMEN1KMT2AMAPTGRM5
SCHEMBL13490319 0.90 MEN1 (0.48) RAB9AMEN1KMT2AGAAKDM4E
SCHEMBL3222191 0.90 GRM5 (0.52) MEN1KMT2AGAAMAPTPOLB
SCHEMBL13490309 0.89 MEN1 (0.47) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL13490618 0.89 MEN1 (0.54) NPC1RAB9AMEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 NPC1 3250/4885RAB9A 1662/4885MEN1 2892/4885

“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.