SCHEMBL1978454

SCHEMBL1978454

CCC(C(=O)O)n1nnc(-c2cnc(-c3cn(Cc4cc(Cl)c(Cl)c(Cl)c4)nn3)s2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCD O00767 3/20 0.35
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1969495 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1985655 0.84 SCD (0.51) SCD
SCHEMBL1966799 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1987880 0.74 SCD (0.41) SCDKDM4AKDM5CKDM4CKDM2A
SCHEMBL1990584 0.73 CD74 (0.41) SCDEGLN1MAPT
SCHEMBL1238494 0.71 KDM4E (0.51) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1970393 0.71 MAPT (0.41) EGLN1MAPT
SCHEMBL2176716 0.70 SCD (0.37) SCDKDM4AKDM5CKDM4CKDM2A
SCHEMBL1968014 0.69 SCD (0.70) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1970057 0.68 MEN1 (0.34) MAPK1SCDKDM4AKDM5CKDM4C

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.