SCHEMBL794442

SCHEMBL794442

CCOC(=O)NCCc1ccc(Cl)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
GLA P06280 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CNR1 P21554 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL793345 0.88 KMT2A (0.68) KMT2AGLASMN1; SMN2ALDH1A1CA1
SCHEMBL793908 0.86 SMN1; SMN2 (0.74) KMT2AGLASMN1; SMN2TSHRGAA
SCHEMBL6023108 0.86 CA1 (0.54) KMT2ASMN1; SMN2ALDH1A1CA1CA2
SCHEMBL798624 0.84 TSHR (0.58) KMT2AGLASMN1; SMN2TSHRMAPT
SCHEMBL12192727 0.83 KMT2A (0.64) KMT2AGLASMN1; SMN2ALDH1A1CA1
SCHEMBL26017696 0.82 KMT2A (0.60) KMT2AGLASMN1; SMN2ALDH1A1CA1
SCHEMBL15471849 0.82 TSHR (0.59) KMT2AGLASMN1; SMN2TSHRALDH1A1
SCHEMBL29204006 0.82 GLA (0.63) KMT2AGLAALDH1A1CA1CA2
SCHEMBL1159713 0.82 KMT2A (0.63) KMT2AGLASMN1; SMN2ALDH1A1CA1
SCHEMBL29572296 0.82 GLA (0.63) KMT2AGLAALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 KMT2A 660/4885GLA 2244/4885SMN1; SMN2 4109/4885

“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.