SCHEMBL1969495

SCHEMBL1969495

CCC(C(=O)O)n1nnc(-c2cnc(-c3cn(Cc4cc(Cl)c(Cl)c(Cl)c4)nn3)nc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SCD O00767 1/20 0.39
EGLN1 Q9GZT9 9/20 0.39
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL1978454 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1989322 0.82 SCD (0.57) SCDEGLN1MEN1CASP3KMT2A
SCHEMBL12563313 0.82 SCD (0.47) ALDH1A1SMN1; SMN2HSD17B10SCDEGLN1
SCHEMBL1966799 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1395381 0.77 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1968014 0.75 SCD (0.70) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1970677 0.72 KDM4C (0.40) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1393716 0.72 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1970057 0.72 MEN1 (0.34) MAPK1SCDMEN1CASP3KMT2A
SCHEMBL1989650 0.70 SCD (0.75) SCDEGLN1MEN1CASP3KMT2A

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 3 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
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 WO 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.