SCHEMBL1965978

SCHEMBL1965978

COC(=O)c1cncc(C(=O)NNC(=O)c2cn(Cc3cc(Cl)c(Cl)c(Cl)c3)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NLRP3 Q96P20 1/20 0.38
CYP2C19 P33261 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38

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
SCHEMBL1971349 0.75 SCD (0.49) ALDH1A1LMNAKLKB1
SCHEMBL2177885 0.73 SCD (0.48) ALDH1A1LMNAKLKB1
SCHEMBL1965913 0.72 ALDH1A1 (0.70) ALDH1A1LMNA
SCHEMBL1974270 0.70 SCD (0.66) ALDH1A1LMNAKLKB1
SCHEMBL1990584 0.69 CD74 (0.41) CD74MIFNLRP3
SCHEMBL2176792 0.68 SCD (0.49) ALDH1A1LMNA
SCHEMBL3655678 0.66 EGLN1 (0.45) CYP2C19TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1967606 0.66 SCD (0.43) ALDH1A1LMNAKLKB1
SCHEMBL17283075 0.66 ALDH1A1 (0.50) CD74MIFALDH1A1LMNATUBB4A
SCHEMBL1719412 0.66 ALDH1A1 (0.75) CD74MIFALDH1A1LMNAKLKB1

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 CD74 2008/4885MIF 2873/4885ALDH1A1 518/4885

“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.