SCHEMBL8202097

SCHEMBL8202097

Cc1cccc(-c2nc(C)sc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MAPK14 Q16539 7/20 0.46
NISCH Q9Y2I1 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 2/20 0.44
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
DPP4 P27487 1/20 0.41
XDH P47989 1/20 0.41
ADORA1 P30542 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13545740 0.82 MAPK14 (0.46) ALDH1A1MAPK14MEN1KMT2ARAB9A
SCHEMBL13545723 0.82 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL2091654 0.82 KDM1A (0.48) ALDH1A1HPGDKMT2AADORA1
SCHEMBL2093695 0.82 ALDH1A1 (0.46) ALDH1A1HPGDNISCHMEN1KMT2A
SCHEMBL9955688 0.82 NPSR1 (0.48) ALDH1A1HPGDMAPK14NISCHMEN1
SCHEMBL30257384 0.82 ALDH1A1 (0.54) ALDH1A1MAPK14NISCHMEN1KMT2A
SCHEMBL2093741 0.80 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7950236 0.80 ALDH1A1 (0.64) ALDH1A1HPGDMAPK14NISCHRAB9A
SCHEMBL7946606 0.78 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AXDH
SCHEMBL31070149 0.78 ENPP1 (0.44) ALDH1A1MAPK14NISCHMEN1KMT2A

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
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2010-01-28 US disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 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-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM THPO, MPL, TEK ALDH1A1 1545/4885HPGD 2102/4885MAPK14 1989/4885

“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.