SCHEMBL3733897

SCHEMBL3733897

Nc1nnc(COc2cc(F)cc(Cl)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 3/20 0.42
MAPT P10636 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL25153677 0.90 RAB9A (0.57) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL3725801 0.78 LMNA (0.69) RAB9ALMNAPKMHSD17B10ALDH1A1
SCHEMBL3727761 0.78 LMNA (0.65) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL3733443 0.77 RAB9A (0.61) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL3727157 0.77 MEN1 (0.72) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL3729145 0.76 ALDH1A1 (0.52) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL3734173 0.74 RAB9A (0.65) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL3728504 0.73 ALDH1A1 (0.56) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL3728220 0.73 ALDH1A1 (0.52) RAB9ALMNAPKMHSD17B10MEN1
SCHEMBL10755428 0.70 LMNA (0.62) RAB9ALMNAPKMHSD17B10MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 RAB9A 3330/4885LMNA 2761/4885PKM 1419/4885

“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.