SCHEMBL3723685

SCHEMBL3723685

Nc1nnc(COc2ccccc2-c2ccccc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
NISCH Q9Y2I1 1/20 0.45

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
SCHEMBL3729107 0.79 MAPT (0.78) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL3725459 0.79 POLB (0.74) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL30282807 0.79 HTT (0.74) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL30287480 0.79 POLB (0.74) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL3729052 0.79 HTT (0.74) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL3736372 0.79 MAPT (0.61) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL10755428 0.78 LMNA (0.62) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL3728335 0.77 MAPT (0.62) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL3729134 0.75 MAPT (0.57) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL30898513 0.75 MAPT (0.57) MAPTRAB9AALDH1A1HPGDNPC1

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 MAPT 2890/4885RAB9A 3330/4885ALDH1A1 458/4885

“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.