SCHEMBL3607953

SCHEMBL3607953

Cc1cccc2cc(C(=O)N[C@@H]3CCNC3)[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.69
NSD2 O96028 3/20 0.64
SETD2 Q9BYW2 3/20 0.64
HRH4 Q9H3N8 6/20 0.52
BRD4 O60885 4/20 0.51
ATAD2 Q6PL18 3/20 0.51
PARP1 P09874 1/20 0.45
SRC P12931 1/20 0.44
KDR P35968 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
SCHEMBL3606352 1.00 SMYD3 (0.69) SMYD3NSD2SETD2HRH4BRD4
SCHEMBL3606357 1.00 SMYD3 (0.69) SMYD3NSD2SETD2HRH4BRD4
SCHEMBL3610798 0.93 SMYD3 (0.67) SMYD3NSD2SETD2HRH4PARP1
SCHEMBL3610802 0.93 SMYD3 (0.67) SMYD3NSD2SETD2HRH4PARP1
SCHEMBL25038007 0.93 SMYD3 (0.76) SMYD3NSD2SETD2HRH4BRD4
Trifluoroacetic Acid SCHEMBL3596233 0.93 SMYD3 (0.61) SMYD3NSD2SETD2HRH4BRD4
Trifluoroacetic Acid SCHEMBL3613494 0.93 SMYD3 (0.61) SMYD3NSD2SETD2HRH4BRD4
SCHEMBL3607396 0.86 HRH4 (0.52) SMYD3NSD2SETD2HRH4BRD4
SCHEMBL3607398 0.86 HRH4 (0.52) SMYD3NSD2SETD2HRH4BRD4
SCHEMBL17209755 0.84 SMYD3 (0.78) SMYD3NSD2SETD2HRH4

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 811/4885NSD2 146/4885SETD2 2175/4885

“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.