SCHEMBL3606200

SCHEMBL3606200

CC(C(=O)O)c1cncc(-c2ccc(C3CCC(Oc4cc(F)ccc4Br)CC3)nn2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.57
SCD5 Q86SK9 1/20 0.57
IDO1 P14902 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
SCHEMBL4435598 0.82 SCD (0.77) SCDSCD5
SCHEMBL3606618 0.73 SCD (1.00) SCDSCD5
SCHEMBL3605024 0.70 SCD (1.00) SCDSCD5
SCHEMBL3606321 0.70 SCD (0.80) SCDSCD5
SCHEMBL3609521 0.70 SCD (1.00) SCDSCD5
SCHEMBL13730861 0.67 SCD (0.53) SCDSCD5
SCHEMBL3599831 0.67 SCD (1.00) SCDSCD5
SCHEMBL3605058 0.66 SCD (0.79) SCDSCD5
SCHEMBL3610488 0.66 SCD (1.00) SCDSCD5
SCHEMBL4502364 0.66 SCD (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US 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 (2 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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 SCD 4135/4885SCD5 1575/4885IDO1 666/4885
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885SCD5 2/4885IDO1 1281/4885

“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.