SCHEMBL10243011

SCHEMBL10243011

CCCCNC(=O)c1ccc2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HPGD P15428 1/20 0.70
OPRM1 P35372 1/20 0.67
OPRK1 P41145 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
KDM4C Q9H3R0 1/20 0.62
MAPT P10636 4/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58

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
SCHEMBL28514763 0.96 ALDH1A1 (0.68) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL31047562 0.94 ALDH1A1 (0.67) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL31047592 0.94 ALDH1A1 (0.67) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL10288646 0.91 ALDH1A1 (0.74) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL16492626 0.85 ALDH1A1 (0.66) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL5095301 0.84 ALDH1A1 (0.73) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL22819412 0.84 KDM4C (0.69) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL9796585 0.83 ALDH1A1 (0.67) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL19380241 0.82 ALDH1A1 (0.69) ALDH1A1HPGDOPRM1OPRK1TMEM97
SCHEMBL3986906 0.82 OPRM1 (0.70) ALDH1A1HPGDOPRM1OPRK1TMEM97

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
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
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US 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 ALDH1A1 1939/4885HPGD 556/4885OPRM1 4835/4885

“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.