SCHEMBL13126366

SCHEMBL13126366

NC(=O)c1ccsc1NC(=O)Cc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 17/20 0.58
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.51
JUN P05412 1/20 0.51
MAPK9 P45984 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL13164128 0.78 ALDH1A1 (0.57) MEN1ALDH1A1POLBKMT2ATDP1
SCHEMBL15685943 0.76 ALDH1A1 (0.74) MEN1ALDH1A1POLBKMT2ATDP1
SCHEMBL5307911 0.76 KDM4E (0.74) MEN1ALDH1A1POLBKMT2ATDP1
SCHEMBL13126362 0.74 MAPK8 (1.00) MAPK8MEN1KMT2ANPC1RAB9A
SCHEMBL10035809 0.74 ALDH1A1 (0.64) MEN1ALDH1A1POLBKMT2ATDP1
SCHEMBL2207637 0.74 MAPT (0.63) ALDH1A1POLBTDP1HTTNPC1
SCHEMBL30343700 0.74 MAPT (0.63) ALDH1A1POLBTDP1HTTNPC1
SCHEMBL12409534 0.73 ALDH1A1 (0.67) MEN1ALDH1A1POLBKMT2ATDP1
Hydrochloric Acid SCHEMBL2211742 0.72 ALDH1A1 (0.66) ALDH1A1POLBTDP1HTTNPC1
SCHEMBL8635361 0.71 ALDH1A1 (0.57) MEN1ALDH1A1POLBKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240720-A1 ALLOSTERIC JNK INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-23 US disclosed
US-20100240720-A1 ALLOSTERIC JNK INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-23 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-20100240720-A1 ALLOSTERIC JNK INHIBITORS MCL1, MAPKAPK2, MAP3K6 MAPK8 21/4885MEN1 3413/4885ALDH1A1 4814/4885

“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.