SCHEMBL3222353

SCHEMBL3222353

N#CCCCOc1c[c]ccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
GAA P10253 1/20 0.37
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BACE1 P56817 2/20 0.34
LTB4R Q15722 1/20 0.33
APP P05067 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL919678 0.84 MAOB (0.39) KCNA3
SCHEMBL5704638 0.82 KCNA3 (0.42) KCNA3
SCHEMBL920056 0.81 KCNA3 (0.34) KCNA3
SCHEMBL920988 0.80 LTA4H (0.34) KCNA3
SCHEMBL23144 0.79 SMN1; SMN2 (0.36) GAAL3MBTL1
SCHEMBL919775 0.79 KCNA3 (0.41) KCNA3
SCHEMBL920618 0.79 MAOB (0.40) KCNA3
SCHEMBL27559192 0.79 GAA (0.46) KCNA3GAAPDE3BPDE3AP2RY12
SCHEMBL7501215 0.79 KCNA3 (0.62) KCNA3GAABACE1
SCHEMBL919590 0.79 KCNA3 (0.33) KCNA3GAA

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
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX KCNA3 1741/4885GAA 920/4885PDE3B 2953/4885

“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.