SCHEMBL3944834

SCHEMBL3944834

CNC(=O)c1ccccc1Cl.OBO

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PLK1 P53350 1/20 0.50
RAB9A P51151 1/20 0.49
SMO Q99835 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49

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
SCHEMBL30452120 0.94 POLB (0.69) POLBALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL883582 0.94 POLB (0.69) POLBALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL2344909 0.79 GAA (0.71) POLBALDH1A1GAAPLK1KMT2A
SCHEMBL4143751 0.78 TAS1R3 (0.60) POLBALDH1A1HPGDGAAPLK1
SCHEMBL8856838 0.78 POLB (0.77) POLBALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL8373805 0.77 POLB (1.00) POLBALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL10126900 0.77 TAS1R3 (0.54) POLBALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL3780962 0.77 DOT1L (0.50) POLBALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL4049407 0.77 LMNA (0.55) POLBALDH1A1HPGDMAPTCES2
SCHEMBL24311514 0.76 GAA (0.56) POLBALDH1A1L3MBTL1GAAPLK1

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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP disclosed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (2 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 POLB 3727/4885ALDH1A1 3513/4885L3MBTL1 1579/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 POLB 2295/4885ALDH1A1 388/4885L3MBTL1 1233/4885

“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.