SCHEMBL3373345

SCHEMBL3373345

[CH2]CCN(CCC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
KDM5A P29375 3/20 0.33
MAPT P10636 1/20 0.33
PHF8 Q9UPP1 2/20 0.32
KCNH2 Q12809 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
DNM1 Q05193 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL128596 0.95 CA12 (0.37) CA12CA1CA9KDM5AMAPT
SCHEMBL9367395 0.95 CA12 (0.37) CA12CA1CA9KDM5AMAPT
SCHEMBL21065731 0.92 CA12 (0.36) CA12CA1CA9KDM5AMAPT
SCHEMBL5262504 0.90 CA12 (0.34) CA12CA1CA9KDM5AMAPT
SCHEMBL131833 0.89 HRH3 (0.33) CA12CA1CA9
SCHEMBL3480688 0.86 DNM1 (0.43) CA12CA1CA9KDM5APHF8
SCHEMBL21065764 0.86 HRH3 (0.32) CA12CA9
SCHEMBL3480441 0.86 CA12 (0.42) CA12CA1CA9KDM5AMAPT
SCHEMBL219200 0.86 CA12 (0.42) CA12CA1CA9KDM5AMAPT
SCHEMBL218572 0.86 CA12 (0.42) CA12CA1CA9KDM5AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CA12 4035/4885CA1 1836/4885CA9 2894/4885

“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.