SCHEMBL1308656

SCHEMBL1308656

O=C(NCCO)c1cc(O)nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.77
MEN1 O00255 3/20 0.77
CACNA1B Q00975 2/20 0.77
APBA1 Q02410 2/20 0.77
HTT P42858 1/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TACR3 P29371 1/20 0.51
GAA P10253 1/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.47
ATM Q13315 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
SCHEMBL16833443 0.78 MEN1 (0.65) KMT2AMEN1CACNA1BAPBA1HTT
SCHEMBL30172583 0.76 KDM4E (0.64) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL662652 0.76 KDM4E (0.64) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL3170222 0.75 CYP1A2 (0.49) KMT2AMEN1CACNA1BAPBA1HTT
SCHEMBL28267403 0.75 KDM4E (0.62) KMT2AMEN1HTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11329279 0.75 KDM4E (0.62) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL12308137 0.74 CACNA1B (0.77) KMT2AMEN1CACNA1BAPBA1HTT
SCHEMBL7328160 0.73 AKR1C3 (0.48) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL27632452 0.73 AKR1C3 (0.48) KMT2AMEN1HTTKDM4ESMN1; SMN2
SCHEMBL10202038 0.73 NPC1 (0.49) KMT2AMEN1HTTMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8053446-B2 Cyanoguanidine compounds LEO PHARMA A/S (DK) 2011-11-08 US disclosed
US-20080312275-A1 Novel Cyanoguanidine Compounds LEO PHARMA A/S (DK) 2008-12-18 US disclosed
EP-1838696-A1 NOVEL CYANOGUANIDINE COMPOUNDS Leo Pharma A/S (DK) 2007-10-03 EP disclosed
WO-2006066584-A1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-29 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-20080312275-A1 Novel Cyanoguanidine Compounds MKI67, CCNA1, COL1A1 KMT2A 2197/4885MEN1 1685/4885CACNA1B 1624/4885

“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.