SCHEMBL10076458

SCHEMBL10076458

COCCOc1ccc(CC(=O)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.47
ACACB O00763 1/20 0.47
CACNA1H O95180 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.43
PLA2G4B P0C869 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3331503 0.84 PLA2G4B (0.57) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL2530981 0.84 KDM4E (0.66) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL874241 0.84 POLB (0.54) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL2525327 0.84 LMNA (0.58) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL17508211 0.83 TBXAS1 (0.52) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL10076459 0.83 ALDH1A1 (0.55) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL3948384 0.81 ALDH1A1 (0.50) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL5101651 0.81 KDM4E (0.45) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL2528806 0.80 ALDH1A1 (0.54) KDM4ECYP1A2SMN1; SMN2MAPTALDH1A1
SCHEMBL9479795 0.80 PLA2G4B (0.65) KDM4ECYP1A2CYP2D6PDE4ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 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 (3 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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KDM4E 454/4885CYP1A2 19/4885CYP2D6 154/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KDM4E 454/4885CYP1A2 19/4885CYP2D6 154/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KDM4E 454/4885CYP1A2 19/4885CYP2D6 154/4885

“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.