SCHEMBL3723669

SCHEMBL3723669

Nc1nnc(Cc2ccc(F)cc2C(F)(F)F)s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
ALDH1A1 P00352 8/20 0.50
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
DHFR P00374 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3727774 0.81 ALDH1A1 (0.54) IDO1ALDH1A1HPGDHSD17B10POLB
SCHEMBL3723688 0.79 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10POLBHTT
SCHEMBL3737263 0.77 RAB9A (0.53) IDO1ALDH1A1HPGDHSD17B10POLB
SCHEMBL11751335 0.73 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10POLBHTT
SCHEMBL602492 0.72 ALDH1A1 (0.69) ALDH1A1HPGDPOLBHTTLMNA
SCHEMBL3729996 0.71 ALDH1A1 (0.73) ALDH1A1HPGDHSD17B10ALOX15CRHBP
SCHEMBL21384242 0.70 ALDH1A1 (0.65) IDO1ALDH1A1HPGDPOLBHTT
SCHEMBL28654144 0.69 ALDH1A1 (0.59) ALDH1A1HPGDPOLBHTTLMNA
SCHEMBL109671 0.69 IDO1 (0.65) IDO1DHFRHDAC3HDAC1HDAC2
SCHEMBL3726222 0.69 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10POLBHTT

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 IDO1 823/4885ALDH1A1 458/4885HPGD 203/4885

“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.