SCHEMBL1965405

SCHEMBL1965405

CCC(C(=O)O)n1nnc(-c2cncc(C#C[Si](C)(C)C)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDR P35968 3/20 0.37
EIF2AK2 P19525 2/20 0.37
PDGFRB P09619 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SCD O00767 1/20 0.30

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
SCHEMBL1987294 0.85 MAPK1 (0.53) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3242105 0.81 SCD (0.46) ALDH1A1HPGDSMN1; SMN2KDREIF2AK2
SCHEMBL1992948 0.79 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1967150 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1395381 0.71 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1393716 0.71 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL14629954 0.70 ALDH1A1 (0.70) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL28884696 0.65 GRM5 (0.40)
SCHEMBL29934042 0.65 GRM5 (0.40)
SCHEMBL1238494 0.65 KDM4E (0.51) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2

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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US disclosed
EP-2334666-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-06-22 EP 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 KDM4E 2485/4885ALDH1A1 518/4885HPGD 659/4885

“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.