SCHEMBL3603913

SCHEMBL3603913

O=C(N[C@H]1CCNC1)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.56
SMYD3 Q9H7B4 3/20 0.56
PYGL P06737 1/20 0.48
PYGM P11217 1/20 0.48
F10 P00742 4/20 0.48
MLLT1 Q03111 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDR P35968 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
SCHEMBL3603024 1.00 ALOX15 (0.56) ALOX15SMYD3PYGLPYGMF10
SCHEMBL3603019 1.00 ALOX15 (0.56) ALOX15SMYD3PYGLPYGMF10
SCHEMBL3605108 0.93 ALOX15 (0.54) ALOX15SMYD3PYGLPYGMF10
SCHEMBL3605105 0.93 ALOX15 (0.54) ALOX15SMYD3PYGLPYGMF10
Trifluoroacetic Acid SCHEMBL3610931 0.92 SMYD3 (0.49) ALOX15SMYD3PYGLPYGMF10
Trifluoroacetic Acid SCHEMBL3610457 0.92 SMYD3 (0.49) ALOX15SMYD3PYGLPYGMF10
SCHEMBL3603062 0.90 SMYD3 (0.69) SMYD3PYGLPYGMF10MLLT1
SCHEMBL3603066 0.90 SMYD3 (0.69) SMYD3PYGLPYGMF10MLLT1
SCHEMBL3609215 0.90 SMYD3 (0.69) SMYD3PYGLPYGMF10MLLT1
SCHEMBL3599029 0.85 DRD4 (0.52) SMYD3MLLT1HRH4KDR

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 ALOX15 1315/4885SMYD3 811/4885PYGL 531/4885

“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.