SCHEMBL335380

SCHEMBL335380

CC(NCCN)c1cccn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 2/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL12812611 0.84 SIGMAR1 (0.47) MEN1KMT2AMAOBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8844815 0.76 RAB9A (0.37) MEN1KMT2AMAOBCYP3A4CYP2D6
SCHEMBL26985723 0.73
SCHEMBL4884620 0.73
SCHEMBL334651 0.72 CYP3A4 (0.33) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL4706959 0.72 CYP3A4 (0.66) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL1132349 0.72 CYP3A4 (0.66) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL3927833 0.72 CYP3A4 (0.66) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL18575556 0.70 SLC6A2 (0.42) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL1132888 0.69 TRPV3 (0.41) CYP2D6ADORA3CHRM1SLC6A2SLC6A4

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 MEN1 2456/4885KMT2A 939/4885MAOB 1313/4885

“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.