SCHEMBL2644244

SCHEMBL2644244

N/C(Cc1ccc(Cl)cc1Cl)=N\O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.54
HSP90AA1 P07900 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
IDO1 P14902 5/20 0.49
HTT P42858 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL2644247 1.00 L3MBTL1 (0.56) L3MBTL1TDP1TP53HSP90AA1MEN1
Hydrochloric Acid SCHEMBL11877107 0.98 L3MBTL1 (0.55) L3MBTL1TDP1TP53HSP90AA1MEN1
SCHEMBL641775 0.82 LMNA (0.42) L3MBTL1TDP1TP53HSP90AA1MEN1
SCHEMBL641774 0.82 LMNA (0.42) L3MBTL1TDP1TP53HSP90AA1MEN1
Hydrochloric Acid SCHEMBL11270853 0.80 IDO1 (0.46) L3MBTL1TDP1TP53HSP90AA1MEN1
SCHEMBL16399713 0.79 LMNA (0.39) L3MBTL1TDP1TP53HSP90AA1MEN1
SCHEMBL16399711 0.79 LMNA (0.39) L3MBTL1TDP1TP53HSP90AA1MEN1
SCHEMBL12082173 0.78 MEN1 (0.50) L3MBTL1TDP1TP53MEN1KMT2A
SCHEMBL2366462 0.78 MEN1 (0.50) L3MBTL1TDP1TP53MEN1KMT2A
SCHEMBL2366457 0.78 MEN1 (0.50) L3MBTL1TDP1TP53MEN1KMT2A

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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 L3MBTL1 4468/4885TDP1 1971/4885TP53 3999/4885
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR L3MBTL1 3457/4885TDP1 3851/4885TP53 4423/4885

“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.