SCHEMBL1785151

SCHEMBL1785151

CCC(=O)NC1CCc2cc(/C=N\O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.45
CA7 P43166 4/20 0.45
CA14 Q9ULX7 4/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CYP11B2 P19099 11/20 0.40
CYP11B1 P15538 9/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL1784055 1.00 CA12 (0.45) CA12CA7CA14CA1CA2
SCHEMBL32008 0.86 CA12 (0.47) CA12CA7CA14CA1CA2
SCHEMBL21178406 0.80 CA12 (0.40) CA12CA7CA14CA1CA2
SCHEMBL30471759 0.79 CA12 (0.53) CA12CA7CA14CA1CA2
SCHEMBL1787681 0.78 CA12 (0.49) CA12CA7CA14CA1CA2
SCHEMBL24120 0.77 CA12 (0.48) CA12CA7CA14CA1CA2
SCHEMBL1787459 0.75 CYP11B2 (0.56) CA12CA7CA14CA1CA2
SCHEMBL17335683 0.74 ALDH1A1 (0.61) MTNR1AMTNR1B
SCHEMBL7445856 0.74 ALDH1A1 (0.61) MTNR1AMTNR1B
SCHEMBL26779718 0.74 ALDH1A1 (0.61) MTNR1AMTNR1B

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
EP-2186804-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO (JP) 2015-06-17 EP disclosed
US-8288393-B2 Nitrogen-containing heterocyclic compound and pest control agent NIPPON SODA CO., LTD. (JP) 2012-10-16 US disclosed
US-20110124858-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2011-05-26 US disclosed
EP-2186804-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2010-05-19 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-20110124858-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NOS1, NOS2, NOX1 CA12 1557/4885CA7 2352/4885CA14 2269/4885

“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.