SCHEMBL3729145

SCHEMBL3729145

Nc1nnc(COc2cc(F)cc(F)c2Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HPGD P15428 3/20 0.52
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 3/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL3728220 0.81 ALDH1A1 (0.52) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3729659 0.80 RAB9A (0.58) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3728504 0.78 ALDH1A1 (0.56) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3733897 0.76 RAB9A (0.51) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3738421 0.75 ALDH1A1 (0.58) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3736372 0.74 MAPT (0.61) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3727149 0.71 ALDH1A1 (0.58) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3731106 0.71 ALDH1A1 (0.55) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL30282807 0.71 HTT (0.74) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3729052 0.71 HTT (0.74) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2

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 ALDH1A1 458/4885HPGD 203/4885RAB9A 3330/4885

“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.