SCHEMBL3213873

SCHEMBL3213873

COc1cc(OC)cc(C(=O)N[C@@H]2CCC[C@H](c3nc4cc(Cl)ccc4[nH]3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CXCR6 O00574 9/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGDS O60760 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL13490329 1.00 GRM5 (0.52) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL3222191 0.93 GRM5 (0.52) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL3211354 0.90 MEN1 (0.49) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL3199183 0.90 MEN1 (0.49) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL3216538 0.89 MEN1 (0.48) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL3209813 0.89 MEN1 (0.48) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL3213601 0.88 KMT2A (0.47) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL13490741 0.88 MEN1 (0.54) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL13490372 0.88 MEN1 (0.54) GRM5MEN1KMT2ACXCR6LMNA
SCHEMBL13490618 0.88 MEN1 (0.54) GRM5MEN1KMT2ACXCR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US claimed
EP-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 EP claimed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 WO claimed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
EP-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 EP 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 GRM5 4172/4885MEN1 2892/4885KMT2A 1782/4885

“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.