SCHEMBL2869412

SCHEMBL2869412

COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2C#N)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PDE1C Q14123 1/20 0.55
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 5/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
PDE4D Q08499 1/20 0.48
CHEK1 O14757 1/20 0.47
PIM1 P11309 1/20 0.47
MAPK8 P45983 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL2816814 0.90 MAPT (0.54) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL2818082 0.89 MAPT (0.53) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL2813976 0.87 PDE4D (0.60) MAPTCYP1A2CYP3A4CYP2C19POLB
SCHEMBL2816013 0.82 MEN1 (0.60) MAPTPOLBKMT2AALDH1A1NR1H4
SCHEMBL2816049 0.80 POLB (0.62) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL2874235 0.78 PDE4D (0.60) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL2814430 0.78 NPC1 (0.53) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL4436314 0.78 POLB (0.45) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL2815613 0.74 NPC1 (0.57) MAPTCYP2C19POLBKMT2AKDM4E
SCHEMBL2817939 0.73 MAPT (0.56) MAPTCYP2C19POLBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG PDE5A 157/4885PDE1A 2100/4885PDE1B 2302/4885

“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.