SCHEMBL3600313

SCHEMBL3600313

COc1cc(OC)c2[nH]c(C(=O)N[C@@H]3CCNC3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
OPRK1 P41145 1/20 0.48
DRD4 P21917 1/20 0.45
SMYD3 Q9H7B4 4/20 0.41
HTR4 Q13639 2/20 0.41
HPGDS O60760 1/20 0.41
PDPK1 O15530 2/20 0.40
NSD2 O96028 1/20 0.39
SETD2 Q9BYW2 1/20 0.39
PBK Q96KB5 1/20 0.39
SYK P43405 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
KDM1A O60341 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3600317 1.00 MAPK1 (0.48) MAPK1OPRK1DRD4SMYD3HTR4
SCHEMBL3605929 0.94 MAPK1 (0.57) MAPK1OPRK1DRD4SMYD3PBK
SCHEMBL3605925 0.94 MAPK1 (0.57) MAPK1OPRK1DRD4SMYD3PBK
Trifluoroacetic Acid SCHEMBL3611914 0.93 MAPK1 (0.43) MAPK1OPRK1DRD4SMYD3HTR4
SCHEMBL3599694 0.82 HDAC3 (0.51) MAPK1OPRK1DRD4SMYD3HTR4
SCHEMBL3599696 0.82 HDAC3 (0.51) MAPK1OPRK1DRD4SMYD3HTR4
SCHEMBL3610362 0.81 KDM4E (0.56) HTR4KMT2ARAB9AL3MBTL1
SCHEMBL3610359 0.81 KDM4E (0.56) HTR4KMT2ARAB9AL3MBTL1
SCHEMBL3611688 0.81 MAPK1 (0.51) MAPK1OPRK1DRD4SMYD3HTR4
SCHEMBL3612648 0.81 MAPK1 (0.51) MAPK1OPRK1DRD4SMYD3HTR4

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT MAPK1 4292/4885OPRK1 609/4885DRD4 2343/4885

“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.