SCHEMBL4504071

SCHEMBL4504071

NC(c1ccccc1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 1/20 0.52
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
PTPN1 P18031 1/20 0.41
KIF11 P52732 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL28769866 0.87 CA1 (0.42) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL28769865 0.87 CA1 (0.42) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL843026 0.82 KCNN4 (0.65) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL28769575 0.82 KIF11 (0.54) ALDH1A1CA1CA2CA9KIF11
SCHEMBL28769577 0.82 KIF11 (0.54) ALDH1A1CA1CA2CA9KIF11
SCHEMBL10425498 0.79 KCNN4 (0.61) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL9579980 0.78 KCNN4 (0.52) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL1436109 0.78 KCNN4 (0.52) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL10455504 0.77 KCNN4 (0.58) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL6253999 0.77 KCNN4 (0.58) KCNN4TSHRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US claimed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP claimed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO disclosed
EP-1023317-A1 CODING COMBINATORIAL LIBRARIES WITH FLUORINE TAGS Abbott Laboratories (US) 2000-08-02 EP disclosed
WO-1999019344-A1 CODING COMBINATORIAL LIBRARIES WITH FLUORINE TAGS ABBOTT LABORATORIES (US) 1999-04-22 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 (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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH KCNN4 2136/4885TSHR 585/4885ALDH1A1 199/4885

“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.