SCHEMBL16887444

SCHEMBL16887444

O=C(Cc1ccccc1)Nc1nnc(C2CCC(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)s1

nearest known ligand 0.90

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 13/20 0.90
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
PKM P14618 1/20 0.67
RECQL P46063 1/20 0.64
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
STAT3 P40763 1/20 0.63

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
SCHEMBL20392486 0.95 GLS (1.00) GLSKMT2ASMN1; SMN2PKMRECQL
SCHEMBL21325757 0.95 GLS (0.86) GLSKMT2ASMN1; SMN2PKMRECQL
SCHEMBL15724986 0.95 GLS (1.00) GLSKMT2ASMN1; SMN2PKMRECQL
SCHEMBL15724989 0.95 GLS (1.00) GLSKMT2ASMN1; SMN2PKMRECQL
SCHEMBL15724994 0.95 GLS (1.00) GLSKMT2ASMN1; SMN2PKMRECQL
SCHEMBL20392483 0.94 GLS (0.84) GLSKMT2ASMN1; SMN2RECQLMEN1
SCHEMBL17172576 0.90 GLS (1.00) GLSKMT2ARECQLMEN1ALDH1A1
SCHEMBL15724979 0.90 GLS (1.00) GLSKMT2ARECQLMEN1ALDH1A1
SCHEMBL15724974 0.90 GLS (1.00) GLSKMT2ARECQLMEN1ALDH1A1
SCHEMBL15724980 0.90 GLS (1.00) GLSKMT2ARECQLMEN1ALDH1A1

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
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 US disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 US disclosed
WO-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 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-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885KMT2A 2349/4885SMN1; SMN2 1653/4885

“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.