SCHEMBL1238534

SCHEMBL1238534

O=C(NCc1ccccc1)c1ncccc1OC[C@H]1C[C@H](O)CN1C(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.41
KMT2A Q03164 2/20 0.35
IDH1 O75874 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL1238533 1.00 SCD (0.41) SCDKMT2AIDH1HCRTR1HCRTR2
SCHEMBL1239309 0.87 IDH1 (0.37) IDH1HCRTR1
SCHEMBL1239306 0.87 IDH1 (0.37) IDH1HCRTR1
SCHEMBL1240548 0.87 SCD (0.43) SCDKMT2AKDM4EDGAT2
SCHEMBL1240546 0.87 SCD (0.43) SCDKMT2AKDM4EDGAT2
SCHEMBL1240549 0.87 SCD (0.43) SCDKMT2AKDM4EDGAT2
SCHEMBL1241145 0.86 SGMS2 (0.36) KMT2AIDH1HCRTR1SGMS2
SCHEMBL1240372 0.86 SGMS2 (0.36) KMT2AIDH1HCRTR1SGMS2
SCHEMBL1240374 0.86 SGMS2 (0.36) KMT2AIDH1HCRTR1SGMS2
SCHEMBL1241142 0.86 SGMS2 (0.36) KMT2AIDH1HCRTR1SGMS2

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-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 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 (2 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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SCD 1954/4885KMT2A 3369/4885IDH1 2680/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SCD 1954/4885KMT2A 3369/4885IDH1 2680/4885

“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.