SCHEMBL2818441

SCHEMBL2818441

COc1cc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)ccc1OCc1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
RET P07949 1/20 0.53
MAP3K20 Q9NYL2 1/20 0.53
RIPK3 Q9Y572 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.52
KDR P35968 1/20 0.51
NAMPT P43490 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NOX1 Q9Y5S8 2/20 0.49

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
SCHEMBL2816518 0.86 KMT2A (1.00) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2816720 0.85 KMT2A (0.98) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2815619 0.82 KMT2A (0.91) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2815574 0.81 NPC1 (0.86) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2816812 0.80 KMT2A (0.84) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2814554 0.80 KMT2A (0.84) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2815852 0.80 KMT2A (0.86) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL4436321 0.77 KMT2A (0.84) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL2816268 0.75 KMT2A (0.78) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL7295922 0.74 ALDH1A1 (1.00) KMT2AMEN1RAB9ANPC1KDM4E

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 KMT2A 1767/4885MEN1 150/4885RAB9A 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.