SCHEMBL3604282

SCHEMBL3604282

Cc1cccc2cc(C(=O)N[C@H]3CCN(C)C3)[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.67
NSD2 O96028 3/20 0.62
SETD2 Q9BYW2 3/20 0.62
HRH4 Q9H3N8 7/20 0.60
RIPK1 Q13546 1/20 0.45
SSTR1 P30872 1/20 0.43
SSTR4 P31391 1/20 0.43
GHSR Q92847 1/20 0.43
KDM5A P29375 1/20 0.43
SYK P43405 1/20 0.42
PYGL P06737 2/20 0.42
PYGM P11217 2/20 0.42

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
SCHEMBL3604285 1.00 SMYD3 (0.67) SMYD3NSD2SETD2HRH4RIPK1
SCHEMBL3610017 1.00 SMYD3 (0.67) SMYD3NSD2SETD2HRH4RIPK1
SCHEMBL25040515 0.84 SMYD3 (0.70) SMYD3NSD2SETD2HRH4
SCHEMBL3602482 0.84 SETD2 (0.50) SMYD3NSD2SETD2HRH4
SCHEMBL3602478 0.84 SETD2 (0.50) SMYD3NSD2SETD2HRH4
SCHEMBL3606689 0.82 SMYD3 (0.45) SMYD3NSD2SETD2HRH4SYK
SCHEMBL3606686 0.82 SMYD3 (0.45) SMYD3NSD2SETD2HRH4SYK
SCHEMBL17209755 0.82 SMYD3 (0.78) SMYD3NSD2SETD2HRH4
SCHEMBL21739331 0.82 SMYD3 (0.78) SMYD3NSD2SETD2HRH4
SCHEMBL17209750 0.82 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.