SCHEMBL4376048

SCHEMBL4376048

Cc1nc(Cl)nc(NCCO)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5A P35218 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
SLC29A1 Q99808 1/20 0.41
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40
HPGD P15428 1/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38

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
SCHEMBL9754777 0.86 KMT2A (0.70) KMT2AMEN1GAAMAPK1MAPT
SCHEMBL8039569 0.86 KMT2A (0.61) KMT2AMEN1GAAMAPK1SLC29A1
SCHEMBL9188023 0.86 KMT2A (0.65) KMT2AMEN1GAAMAPK1MAPT
SCHEMBL10352703 0.82 KMT2A (0.57) KMT2ALMNACA12CA1CA2
SCHEMBL14065504 0.81 LMNA (0.73) KMT2AMEN1GAAMAPK1MAPT
SCHEMBL169523 0.78 KCNH3 (0.45) KMT2AGAALMNANR1I2AHR
SCHEMBL9004359 0.78 LMNA (0.75) KMT2AGAAMAPTLMNA
SCHEMBL20858923 0.78 KMT2A (0.42) KMT2ALMNACA12CA1CA2
SCHEMBL25809366 0.78 KMT2A (0.45) KMT2ALMNACA12CA1CA2
SCHEMBL29391675 0.77 KMT2A (0.56) KMT2AMEN1GAAMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012055480-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 WO disclosed
US-8093375-B2 Reactive polysaccharide derivatives, their preparation and their use BASF SE Ludwigshafen (DE) 2012-01-10 US disclosed
US-20070277328-A1 Reactive Polysaccharide Derivatives, Their Preparation And Their Use BASF SE (DE) 2007-12-06 US disclosed
US-20070113356-A1 Reactive polysaccharide derivatives, their preparation and their use CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-24 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 (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-20070113356-A1 Reactive polysaccharide derivatives, their preparation and their use C1S, H1-0, H1-4 KMT2A 2501/4885MEN1 1738/4885GAA 4026/4885

“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.