SCHEMBL1986297

SCHEMBL1986297

O=C(O)c1cncc(-c2nnc(-c3cn(Cc4cc(Cl)c(Cl)c(Cl)c4)nn3)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.41
UCHL5 Q9Y5K5 4/20 0.41
UCHL1 P09936 1/20 0.41
UCHL3 P15374 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PRSS12 P56730 1/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL1989650 0.72 SCD (0.75) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL1987880 0.72 SCD (0.41) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL1985655 0.71 SCD (0.51) SCD
SCHEMBL1990584 0.69 CD74 (0.41) SCDEGLN1
SCHEMBL1978454 0.68 KDM4E (0.40) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL1965690 0.68 EGLN1 (0.44) EGLN1
SCHEMBL1970393 0.67 MAPT (0.41) TEKKDREGLN1EPHB4
SCHEMBL1989322 0.67 SCD (0.57) SCDMEN1CASP3KMT2ASENP8
SCHEMBL2178963 0.66 SCD (0.39) SCDEGLN1
SCHEMBL2179985 0.66 MAPT (0.39) SCDKDREGLN1

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 4 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
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US disclosed
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US 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 SCD 1/4885UCHL5 2259/4885UCHL1 1796/4885

“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.