SCHEMBL3323795

SCHEMBL3323795

O=C(O)Cn1nnc(-c2cc(OC3CCC(Oc4cc(C(F)(F)F)ccc4Br)C3)no2)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.60
SCD5 Q86SK9 2/20 0.55
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.36
XPO1 O14980 1/20 0.35

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
SCHEMBL3320133 0.97 SCD (0.64) SCDSCD5ALDH1A1MEN1POLB
SCHEMBL3320435 0.90 SCD (0.74) SCDSCD5
SCHEMBL3324364 0.85 SCD (0.43) SCDSCD5ALDH1A1MEN1POLB
SCHEMBL13361526 0.85 SCD (0.48) SCDSCD5ALDH1A1MEN1POLB
SCHEMBL3321553 0.84 SCD (0.64) SCDSCD5
SCHEMBL13332526 0.83 SCD (0.79) SCDSCD5ALDH1A1MEN1KMT2A
SCHEMBL3328862 0.82 SCD (0.63) SCDSCD5
SCHEMBL3319925 0.82 SCD (0.46) SCDSCD5ALDH1A1MEN1POLB
SCHEMBL13332472 0.80 SCD (0.61) SCDSCD5ALDH1A1
SCHEMBL3324548 0.79 SCD (0.70) SCDSCD5

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 SCD 1/4885SCD5 2/4885ALDH1A1 2012/4885

“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.