SCHEMBL9324152

SCHEMBL9324152

CCCCCCCCC(C)N=C=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 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
SCHEMBL991575 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL17027581 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL17027509 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL9356856 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL17027536 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL17027570 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL1987727 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL13750973 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL7990980 1.00 MAPT (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL14861404 0.98 OPRM1 (0.41) MAPTADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-5319133-A Isocyanates and their preparation using hypochlorous acid OLIN CORPORATION (US) 1994-06-07 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B MAPT 2535/4885ADH1B 2076/4885ADH1C 1269/4885

“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.