SCHEMBL3605108

SCHEMBL3605108

O=C(NC1CCCNC1)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.54
SMYD3 Q9H7B4 2/20 0.54
PBK Q96KB5 2/20 0.51
F10 P00742 2/20 0.48
MLLT1 Q03111 1/20 0.48
CDK2AP1 O14519 2/20 0.48
CHEK1 O14757 2/20 0.48
PYGL P06737 1/20 0.47
PYGM P11217 1/20 0.47
MDM2 Q00987 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL3605105 1.00 ALOX15 (0.54) ALOX15SMYD3PBKF10MLLT1
SCHEMBL3603019 0.93 ALOX15 (0.56) ALOX15SMYD3F10MLLT1PYGL
SCHEMBL3603913 0.93 ALOX15 (0.56) ALOX15SMYD3F10MLLT1PYGL
SCHEMBL3603024 0.93 ALOX15 (0.56) ALOX15SMYD3F10MLLT1PYGL
SCHEMBL3612493 0.86 DRD4 (0.50) PBKMLLT1PARP1
SCHEMBL3612490 0.86 DRD4 (0.50) PBKMLLT1PARP1
Trifluoroacetic Acid SCHEMBL3610457 0.86 SMYD3 (0.49) ALOX15SMYD3F10MLLT1PYGL
Trifluoroacetic Acid SCHEMBL3610931 0.86 SMYD3 (0.49) ALOX15SMYD3F10MLLT1PYGL
SCHEMBL3320273 0.84 MLLT1 (0.54) MLLT1PYGLPYGMPARP1
SCHEMBL3320269 0.84 MLLT1 (0.54) MLLT1PYGLPYGMPARP1

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 811/4885PBK 2463/4885

“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.