SCHEMBL3786110

SCHEMBL3786110

Nc1ccc(Cl)cc1NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.59
KMT5B Q4FZB7 2/20 0.50
KMT5C Q86Y97 2/20 0.50
RIPK1 Q13546 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX15 P16050 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL8884638 1.00 MAPT (0.59) MAPTKDM4EGAAKMT5BKMT5C
SCHEMBL29525969 0.91 KDM4E (0.46) MAPTKDM4EGAAKMT5BKMT5C
SCHEMBL7173363 0.91 KDM4E (0.46) MAPTKDM4EGAAKMT5BKMT5C
SCHEMBL3792292 0.86 KDM4E (0.59) MAPTKDM4EGAAKMT5BKMT5C
SCHEMBL1270527 0.85 CYP2D6 (0.48) MAPTKDM4EGAAKMT5BKMT5C
SCHEMBL3786467 0.84 KMT5B (0.54) MAPTKDM4EGAAKMT5BKMT5C
SCHEMBL20837294 0.82 MAPT (0.62) MAPTKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL14092690 0.81 ALOX15 (0.48) MAPTKDM4EGAANPC1CYP2C19
SCHEMBL2361893 0.79 KDM4E (0.59) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL11964465 0.79 MAPT (0.59) MAPTKDM4EGAANPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885KDM4E 2606/4885GAA 1755/4885

“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.