SCHEMBL14975124

SCHEMBL14975124

CN(C[C@H](N)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL14975122 1.00 GBA1 (0.47) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15757842 0.99 GBA1 (0.46) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15757840 0.99 GBA1 (0.46) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15757844 0.99 GBA1 (0.46) GBA1CA9CA12CA1CA2
SCHEMBL28088541 0.91 CA9 (0.48) GBA1CA9CA12CA1CA2
SCHEMBL28088542 0.91 CA9 (0.48) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15758003 0.90 CA9 (0.47) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15758006 0.90 CA9 (0.47) GBA1CA9CA12CA1CA2
Hydrochloric Acid SCHEMBL15758004 0.90 CA9 (0.47) GBA1CA9CA12CA1CA2
SCHEMBL14974421 0.88 GBA1 (0.55) GBA1CA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
US-8710044-B2 Bicyclic azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US 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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides CCNI, CCNA1, CCNA2 GBA1 1051/4885CA9 2328/4885CA12 1672/4885

“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.