SCHEMBL16488795

SCHEMBL16488795

CNC(=O)Nc1cccc(NC)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
DDX3X O00571 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 2/20 0.49
SIRT1 Q96EB6 1/20 0.49
MGLL Q99685 1/20 0.48
GPR35 Q9HC97 1/20 0.48
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL20057565 0.86 TP53 (0.60) MEN1KMT2ADDX3XALDH1A1MAPT
SCHEMBL18814669 0.86 ALDH1A1 (0.65) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL17589369 0.86 KMT2A (0.66) MEN1KMT2ADDX3XALDH1A1MAPT
SCHEMBL8885278 0.85 ALDH1A1 (0.52) MEN1KMT2ADDX3XALDH1A1MAPT
SCHEMBL13522506 0.85 MEN1 (0.49) MEN1KMT2ADDX3XALDH1A1MAPT
SCHEMBL7097165 0.82 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2632867 0.82 SAE1 (0.68) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20057642 0.82 DDX3X (0.49) MEN1KMT2ADDX3XALDH1A1MAPT
SCHEMBL11863928 0.82 RAB9A (0.70) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL697192 0.82 GPR35 (0.55) MEN1KMT2ADDX3XALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180326-B1 BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS TRIO MEDICINES LTD (GB) 2019-10-23 EP disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
WO-2017025727-A1 SYNTHESIS OF BENZODIAZEPINE DERIVATIVES TRIO MEDICINES LIMITED (GB) 2017-02-16 WO disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 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 (2 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-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS MEN1 1674/4885KMT2A 4608/4885DDX3X 4769/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS MEN1 1674/4885KMT2A 4608/4885DDX3X 4769/4885

“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.