SCHEMBL2817622

SCHEMBL2817622

COc1ccc(C(=O)Nc2ccc(C3(CNC(C)=O)CC3)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
CASP1 P29466 1/20 0.64
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.54
PKM P14618 4/20 0.53
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL2817053 0.96 TSHR (0.71) TSHRCASP1KMT2AMEN1NPC1
SCHEMBL2814801 0.87 KMT2A (0.62) TSHRCASP1KMT2AMEN1NPC1
SCHEMBL2814975 0.84 KMT2A (0.59) TSHRCASP1KMT2AMEN1NPC1
SCHEMBL2815498 0.82 KMT2A (0.67) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2814692 0.81 KMT2A (0.66) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL10073048 0.78 LMNA (0.77) TSHRCASP1KMT2AMEN1POLB
SCHEMBL2815432 0.76 KMT2A (0.76) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2817570 0.76 KMT2A (0.76) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2815619 0.76 KMT2A (0.91) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2814616 0.76 KMT2A (0.76) KMT2AMEN1NPC1RAB9AKDM4E

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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 TSHR 19/4885CASP1 2952/4885KMT2A 1767/4885

“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.