SCHEMBL3607407

SCHEMBL3607407

Cc1ccc(C)c2[nH]c(C(=O)N[C@@H]3CCNC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 14/20 0.48
SMYD3 Q9H7B4 4/20 0.47
NSD2 O96028 3/20 0.46
CYP2C8 P10632 2/20 0.46
DRD2 P14416 1/20 0.46
HTR1B P28222 1/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
PBK Q96KB5 1/20 0.42
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
PLA2G7 Q13093 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL3607409 1.00 SETD2 (0.48) SETD2SMYD3NSD2CYP2C8DRD2
SCHEMBL3607941 0.93 SETD2 (0.52) SETD2SMYD3NSD2CYP2C8DRD2
SCHEMBL3607939 0.93 SETD2 (0.52) SETD2SMYD3NSD2CYP2C8DRD2
SCHEMBL3608204 0.86 SMYD3 (0.46) SETD2SMYD3NSD2CYP2C8DRD2
SCHEMBL3602150 0.86 SMYD3 (0.46) SETD2SMYD3NSD2CYP2C8DRD2
SCHEMBL3602154 0.86 SMYD3 (0.46) SETD2SMYD3NSD2CYP2C8DRD2
SCHEMBL3595497 0.83 SMYD3 (0.50) SMYD3KDM1A
SCHEMBL3611578 0.83 SMYD3 (0.50) SETD2SMYD3NSD2KDM1A
SCHEMBL3606352 0.83 SMYD3 (0.69) SETD2SMYD3NSD2
SCHEMBL3595499 0.83 SMYD3 (0.50) SMYD3KDM1A

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 2175/4885SMYD3 811/4885NSD2 146/4885

“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.