SCHEMBL7089167

SCHEMBL7089167

Nc1ccc(Cl)cc1NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
BACE1 P56817 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APP P05067 4/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
NCOR1 O75376 1/20 0.43
HDAC2 Q92769 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL11274390 0.86 PKM (0.52) PKMBACE1MRGPRX4HSD17B10APP
SCHEMBL11268602 0.83 OXTR (0.49) MAPTLMNAHPGDALDH1A1GAA
SCHEMBL11510637 0.82 HDAC1 (0.59) PKMMRGPRX4HSD17B10HDAC1HDAC8
SCHEMBL23044735 0.82 BACE1 (0.49) BACE1HSD17B10HDAC1HDAC8HDAC6
SCHEMBL30643863 0.80 LOXL2 (0.45) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL20919482 0.80 LOXL2 (0.45) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL3261173 0.79 ALOX15 (0.56) PKMMRGPRX4HSD17B10HDAC1HDAC8
SCHEMBL1519151 0.79 SMN1; SMN2 (0.47) BACE1HSD17B10APPHDAC1HDAC8
SCHEMBL23295673 0.79 HTT (0.53) BACE1HSD17B10APPHDAC6MAPT
SCHEMBL11964451 0.79 HDAC3 (0.49) BACE1HSD17B10APPHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
CN-1074413-C Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity OTSUKA PHARMA CO LTD (JP) 2001-11-07 CN disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO disclosed
US-4213982-A USE TO PROMOTE GROWTH RATE OR FEED EFFICIENCY IN LIVESTOCK E. R. SQUIBB & SONS, INC. (US) 1980-07-22 US disclosed
US-4164498-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, TRANQUILIZERS, SEDATIVES, GROWTH PROMOTERS, ANTICONVULSANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1979-08-14 US disclosed
US-4164580-A 4H-s-Triazolo[4,3-a][1,5]benzodiazepin-5-ones as tranquilizers E. R. SQUIBB & SONS, INC. (US) 1979-08-14 US disclosed
US-4133809-A DEPRESSANTS, TRANQUILIZERS, SEDATIVES, GROWTH PROMOTERS, ANTICONVULSANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1979-01-09 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-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 PKM 1183/4885BACE1 3281/4885MRGPRX4 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.