SCHEMBL3604185

SCHEMBL3604185

Cc1cc(C)c2[nH]c(C(=O)N[C@@H]3CCCNC3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.47
MAPK1 P28482 1/20 0.47
OPRK1 P41145 1/20 0.47
SYK P43405 2/20 0.47
GHSR Q92847 4/20 0.45
CYP1A2 P05177 1/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NSD2 O96028 1/20 0.44
SETD2 Q9BYW2 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3604188 1.00 SMYD3 (0.47) SMYD3MAPK1OPRK1SYKGHSR
SCHEMBL4558593 0.89 HRH4 (0.51) SMYD3MAPK1OPRK1SYKGHSR
SCHEMBL17209763 0.87 TAS1R3 (0.59) SMYD3CYP1A2NPC1POLBRAB9A
SCHEMBL17209747 0.87 TAS1R3 (0.59) SMYD3CYP1A2NPC1POLBRAB9A
SCHEMBL25532114 0.86 MAPK1 (0.47) SMYD3MAPK1OPRK1SYKGHSR
SCHEMBL3610798 0.85 SMYD3 (0.67) SMYD3MAPK1OPRK1SYKGHSR
SCHEMBL3610802 0.85 SMYD3 (0.67) SMYD3MAPK1OPRK1SYKGHSR
SCHEMBL3603432 0.81 KDM4E (0.51) SMYD3MAPK1OPRK1GHSRCYP1A2
SCHEMBL3603434 0.81 KDM4E (0.51) SMYD3MAPK1OPRK1GHSRCYP1A2
SCHEMBL4558311 0.81 HRH4 (0.53) SMYD3SYKNPC1POLBRAB9A

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 SMYD3 811/4885MAPK1 4292/4885OPRK1 609/4885

“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.