SCHEMBL3605718

SCHEMBL3605718

O=C(NC1CCNCC1)c1cc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.54
SMYD3 Q9H7B4 8/20 0.53
RHEB Q15382 4/20 0.49
HTR4 Q13639 1/20 0.43
NUDT1 P36639 1/20 0.42
MLLT1 Q03111 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 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
SCHEMBL3603094 0.93 GRIN1 (0.51) GRIN1SMYD3RHEBNUDT1
SCHEMBL3611191 0.93 GRIN1 (0.51) GRIN1SMYD3RHEBNUDT1
SCHEMBL3603096 0.93 GRIN1 (0.51) GRIN1SMYD3RHEBNUDT1
SCHEMBL17206304 0.88 GRIN1 (0.55) GRIN1SMYD3RHEBNUDT1MLLT1
SCHEMBL15506883 0.86 GRIN1 (0.50) GRIN1SMYD3RHEBNUDT1MLLT1
SCHEMBL15506791 0.86 GRIN1 (0.52) GRIN1SMYD3RHEBNUDT1MLLT1
SCHEMBL15520457 0.86 GRIN1 (0.52) GRIN1SMYD3RHEBNUDT1MLLT1
SCHEMBL15506783 0.86 GRIN1 (0.52) GRIN1SMYD3RHEBNUDT1MLLT1
SCHEMBL3594650 0.86 SMYD3 (0.46) GRIN1SMYD3RHEBNUDT1
Trifluoroacetic Acid SCHEMBL3612509 0.85 GRIN1 (0.47) GRIN1SMYD3RHEBNUDT1MLLT1

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 GRIN1 650/4885SMYD3 811/4885RHEB 2282/4885

“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.