SCHEMBL2816518

SCHEMBL2816518

COc1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 1.00
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
MEN1 O00255 7/20 1.00
ALDH1A1 P00352 5/20 0.73
MAPT P10636 4/20 0.73
KDM4E B2RXH2 2/20 0.73
LMNA P02545 2/20 0.73
POLB P06746 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
USP2 O75604 2/20 0.57
PKM P14618 4/20 0.54
HDAC1 Q13547 1/20 0.53
TP53 P04637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL2816720 0.99 KMT2A (0.98) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2815619 0.95 KMT2A (0.91) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2815852 0.93 KMT2A (0.86) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2815574 0.93 NPC1 (0.86) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2816812 0.91 KMT2A (0.84) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2814554 0.91 KMT2A (0.84) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL4436321 0.89 KMT2A (0.84) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2816268 0.88 KMT2A (0.78) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2818441 0.86 KMT2A (0.74) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL7295922 0.85 ALDH1A1 (1.00) KMT2ANPC1RAB9AMEN1ALDH1A1

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 claimed
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 KMT2A 1767/4885NPC1 3400/4885RAB9A 1404/4885

“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.