SCHEMBL13637641

SCHEMBL13637641

COC(=O)c1ccc(CNCl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
PTGER2 P43116 1/20 0.41
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA5 P31644 1/20 0.39

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
SCHEMBL15083809 0.86 CA12 (0.46) KDM4EL3MBTL1MAPTALDH1A1RAB9A
SCHEMBL6205934 0.85 MAPK1 (0.57) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL14548780 0.83 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL198840 0.83 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL16880702 0.83 MAPK1 (0.54) MAPK1KDM4EL3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL22390127 0.82 MAPK1 (0.57) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL29695095 0.81 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL204895 0.81 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL1441132 0.81 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL2616892 0.81 MAPK1 (0.53) MAPK1KDM4EL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 MAPK1 4368/4885KDM4E 2622/4885L3MBTL1 2082/4885

“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.