SCHEMBL2018990

SCHEMBL2018990

COC(=O)/C(C)=N/NC(=S)NCc1cc(F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2018991 1.00 KMT2A (0.39) KMT2AL3MBTL1NPSR1HDAC1HDAC6
SCHEMBL2022565 0.86 P2RX7 (0.42) KMT2AL3MBTL1NPSR1HDAC1HDAC6
SCHEMBL2022564 0.86 P2RX7 (0.42) KMT2AL3MBTL1NPSR1HDAC1HDAC6
SCHEMBL16141883 0.85 ALDH1A1 (0.41) KMT2AL3MBTL1NPSR1HDAC1HDAC6
SCHEMBL15908528 0.84 L3MBTL1 (0.40) KMT2AL3MBTL1NPSR1HDAC1HDAC6
SCHEMBL12491645 0.76 KMT2A (0.38) KMT2AL3MBTL1MAPTGAAKDM4E
SCHEMBL13537180 0.74 MTNR1A (0.43) KMT2ANPSR1HDAC1HDAC6
SCHEMBL29372134 0.72 GAA (0.45) KMT2AMAPTGAAALDH1A1LMNA
SCHEMBL2025930 0.72 GAA (0.45) KMT2AMAPTGAAALDH1A1LMNA
SCHEMBL20472487 0.70 P2RX7 (0.43) KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340523-B2 Certain dipeptidyl peptidase inhibitors FOCHON PHARMA, INC. (US) 2016-05-17 US disclosed
EP-2521721-B1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2014-10-01 EP disclosed
US-20140213590-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS FOCHON PHARMA, INC. (US) 2014-07-31 US disclosed
US-8648073-B2 Certain dipeptidyl peptidase inhibitors FOCHON PHARMA, INC. (US) 2014-02-11 US disclosed
US-8648073-B2 Certain dipeptidyl peptidase inhibitors FOCHON PHARMA, INC. (US) 2014-02-11 US disclosed
EP-2521721-A1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2012-11-14 EP disclosed
WO-2011079778-A1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS CHINA SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2011-07-07 WO disclosed
US-20110160212-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS FOCHON PHARMA, INC. 2011-06-30 US disclosed
US-20110160212-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS FOCHON PHARMA, INC. 2011-06-30 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 (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-20110160212-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP8 KMT2A 4675/4885L3MBTL1 3471/4885NPSR1 832/4885
US-20140213590-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP8 KMT2A 4675/4885L3MBTL1 3471/4885NPSR1 832/4885

“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.