SCHEMBL3213601

SCHEMBL3213601

CNC(=O)c1ccc2[nH]c(C3CCCC(NC(=O)c4cc(OC)cc(OC)c4)C3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GRM5 P41594 2/20 0.44
CXCR6 O00574 1/20 0.42
THRB P10828 1/20 0.41
FLT3 P36888 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGDS O60760 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.40
USP30 Q70CQ3 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
CHEK2 O96017 1/20 0.39

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
SCHEMBL13490309 0.93 MEN1 (0.47) KMT2AMEN1GRM5CXCR6THRB
SCHEMBL3211354 0.93 MEN1 (0.49) KMT2AMEN1GRM5CXCR6THRB
SCHEMBL3261745 0.90 MEN1 (0.46) KMT2AMEN1GRM5CXCR6THRB
SCHEMBL3199183 0.89 MEN1 (0.49) KMT2AMEN1GRM5CXCR6THRB
SCHEMBL3209813 0.88 MEN1 (0.48) KMT2AMEN1GRM5CXCR6MAPT
SCHEMBL3213873 0.88 GRM5 (0.52) KMT2AMEN1GRM5CXCR6MAPT
SCHEMBL3216538 0.88 MEN1 (0.48) KMT2AMEN1GRM5CXCR6FLT3
SCHEMBL13490329 0.88 GRM5 (0.52) KMT2AMEN1GRM5CXCR6MAPT
SCHEMBL13490618 0.87 MEN1 (0.54) KMT2AMEN1GRM5CXCR6MAPT
SCHEMBL13490741 0.87 MEN1 (0.54) KMT2AMEN1GRM5CXCR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 KMT2A 1782/4885MEN1 2892/4885GRM5 4172/4885

“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.