SCHEMBL5987477

SCHEMBL5987477

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nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
CYP19A1 P11511 3/20 0.39
NAAA Q02083 2/20 0.37
HTT P42858 1/20 0.36
TSHR P16473 3/20 0.35
CYP2C19 P33261 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7606345 1.00 EPHX1 (0.40) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL5986431 1.00 EPHX1 (0.40) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL7604345 0.95 TSHR (0.37) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL5987693 0.95 TSHR (0.37) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL5987796 0.95 TSHR (0.37) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL16312681 0.86 EPHX1 (0.38) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL7371640 0.84 EPHX1 (0.39) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL7371636 0.84 EPHX1 (0.39) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL13647263 0.84 CYP19A1 (0.41) EPHX1CYP19A1NAAAHTTTSHR
SCHEMBL13130088 0.84 EPHX1 (0.41) EPHX1CYP19A1NAAAHTTTSHR

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 EPHX1 2234/4885CYP19A1 397/4885NAAA 460/4885

“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.