SCHEMBL3064700

SCHEMBL3064700

O=C(CO)Nc1ccc2ncc(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 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
SCHEMBL3061475 0.87 SCD (0.52) SCDSMN1; SMN2PTGDR2MEN1POLB
SCHEMBL3057128 0.80 FYN (0.45) PTGDR2
SCHEMBL3067789 0.78 IKBKB (0.48) MEN1KMT2A
SCHEMBL3062042 0.78 POLB (0.49) PTGDR2MEN1POLBKMT2A
SCHEMBL3066312 0.78 LMNA (0.45) SCDSMN1; SMN2MEN1KMT2A
SCHEMBL3061575 0.75 KMT2A (0.41) SMN1; SMN2MEN1POLBKMT2A
SCHEMBL3066290 0.75 EPHX2 (0.47) PTGDR2MEN1KMT2A
SCHEMBL214943 0.75 SCD (0.51) SCDMEN1POLBKMT2A
SCHEMBL3069278 0.74 HPGD (0.52) MEN1POLBKMT2A
SCHEMBL3067615 0.71 PTGDR2 (0.44) SMN1; SMN2PTGDR2MEN1POLBKMT2A

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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US claimed
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 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 (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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FADS2 SCD 1/4885SMN1; SMN2 2207/4885PTGDR2 1277/4885

“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.