SCHEMBL3607941

SCHEMBL3607941

Cc1ccc(C)c2[nH]c(C(=O)NC3CCCNC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 12/20 0.52
NSD2 O96028 2/20 0.49
CYP2C8 P10632 2/20 0.49
DRD2 P14416 1/20 0.49
HTR1B P28222 1/20 0.49
MAPK1 P28482 1/20 0.48
OPRK1 P41145 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2B6 P20813 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
PBK Q96KB5 3/20 0.44
PLA2G7 Q13093 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
CDK2AP1 O14519 1/20 0.44
CHEK1 O14757 1/20 0.44

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
SCHEMBL3607939 1.00 SETD2 (0.52) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL3607409 0.93 SETD2 (0.48) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL3607407 0.93 SETD2 (0.48) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL3599119 0.87 MAPK1 (0.47) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL3599117 0.87 MAPK1 (0.47) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL3605197 0.87 MAPK1 (0.47) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL3610802 0.84 SMYD3 (0.67) SETD2NSD2MAPK1OPRK1SMYD3
SCHEMBL3609263 0.84 RAB9A (0.52) MAPK1OPRK1SMYD3PBKCDK2AP1
SCHEMBL3610798 0.84 SMYD3 (0.67) SETD2NSD2MAPK1OPRK1SMYD3
SCHEMBL3609261 0.84 RAB9A (0.52) MAPK1OPRK1SMYD3PBKCDK2AP1

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 SETD2 2175/4885NSD2 146/4885CYP2C8 415/4885

“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.