SCHEMBL2818082

SCHEMBL2818082

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 2/20 0.51
PDE4D Q08499 1/20 0.50
CHEK1 O14757 1/20 0.49
PIM1 P11309 1/20 0.49
MAPK8 P45983 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
P2RX7 Q99572 1/20 0.48
POLB P06746 4/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
NR1H4 Q96RI1 1/20 0.47
HPGD P15428 2/20 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 0.92 MAPT (0.54) MAPTPKMCYP1A2CYP3A4CYP2C19
SCHEMBL2813976 0.89 PDE4D (0.60) MAPTCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL2869412 0.89 PDE5A (0.55) MAPTPKMCYP1A2CYP3A4CYP2C19
SCHEMBL2816013 0.84 MEN1 (0.60) MAPTPKMKMT2APOLBALDH1A1
SCHEMBL2816049 0.81 POLB (0.62) MAPTPKMKMT2APOLBALDH1A1
SCHEMBL2874235 0.80 PDE4D (0.60) MAPTPKMKMT2AKDM4EPDE4D
SCHEMBL4436314 0.80 POLB (0.45) MAPTPKMCYP1A2CYP3A4CYP2C19
SCHEMBL2816286 0.78 RAB9A (0.54) MAPTPKMCYP2C19KMT2AKDM4E
SCHEMBL23144868 0.76 DHODH (0.46) MAPTCYP1A2KMT2AKDM4EHTT
SCHEMBL2815613 0.75 NPC1 (0.57) MAPTPKMCYP2C19KMT2AKDM4E

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 3 patents. 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
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 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 (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 MAPT 4813/4885PKM 2294/4885CYP1A2 704/4885

“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.