SCHEMBL5474252

SCHEMBL5474252

Nc1cc(CN2CCOCC2)ccc1NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 4/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
ACP1 P24666 1/20 0.48
PIK3CB P42338 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOS1 P29475 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL24290490 0.83 NCF1 (0.48) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL5471056 0.80 MAPT (0.65) ALDH1A1HTTKDM4ERAB9ASMN1; SMN2
SCHEMBL546487 0.76 HRH3 (0.59) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL30059176 0.76 HRH3 (0.59) NCF1ALDH1A1HTTKDM4EHPGD
Ammonia Solution, Strong SCHEMBL548075 0.74 HRH3 (0.58) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL6200777 0.73 SIGMAR1 (0.71) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL102338 0.73 SIGMAR1 (0.71) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL15722561 0.73 MAPT (0.65) ALDH1A1HTTKDM4EPIK3CBNPC1
SCHEMBL948372 0.72 SIGMAR1 (0.68) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL18065638 0.72 SIGMAR1 (0.68) NCF1ALDH1A1HTTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663988-B1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-04-16 EP disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 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-20070066606-A1 Benzylbenzimidazolyl derivatives TIE1, KDR, FLT1 NCF1 3032/4885ALDH1A1 745/4885HTT 3647/4885

“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.