SCHEMBL15904166

SCHEMBL15904166

O=C(NCCCOc1cc[c]cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
CA3 P07451 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RECQL P46063 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL15904295 0.95 MTNR1A (0.45) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3167226 0.81 L3MBTL1 (0.71) ALDH1A1MEN1KMT2AL3MBTL1RECQL
SCHEMBL6382771 0.79 MTNR1A (0.65) SMN1; SMN2POLBL3MBTL1RECQLHPGD
SCHEMBL15904029 0.78 RECQL (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3160188 0.78 CA12 (0.64) MEN1KMT2AL3MBTL1CA12CA2
SCHEMBL613023 0.78 MTNR1A (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL15904696 0.77 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6676686 0.76 MTNR1A (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3514732 0.76 NPC1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL693211 0.76 MTNR1A (0.70) ALDH1A1SMN1; SMN2L3MBTL1RECQLHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885SMN1; SMN2 1142/4885POLB 1777/4885

“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.