SCHEMBL2590963

SCHEMBL2590963

Nc1nc(-c2ccccc2)c(CCO)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.66
MAPT P10636 7/20 0.66
CYP1A2 P05177 3/20 0.65
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
GAA P10253 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 3/20 0.51
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
FBP1 P09467 1/20 0.48
POLB P06746 2/20 0.48
HSD17B10 Q99714 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPK1 P28482 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8558456 0.85 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL10358535 0.84 HTT (0.73) ALDH1A1MAPTCYP1A2CYP2C19GAA
SCHEMBL7270583 0.83 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL14726501 0.83 ALDH1A1 (0.76) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL12495533 0.83 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
Bromide SCHEMBL8557369 0.82 ALDH1A1 (0.64) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
Carbamic Acid SCHEMBL10358650 0.81 HTT (0.64) ALDH1A1MAPTCYP1A2CYP2C19GAA
SCHEMBL10475629 0.81 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL27710944 0.79 ALDH1A1 (0.70) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL2174125 0.79 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
CN-101263130-B 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV 2011-03-09 CN disclosed
CN-101263130-A 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-10 CN disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP disclosed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO disclosed
EP-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 EP disclosed
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 US disclosed
EP-0518731-A1 Heterocyclic derivatives of substituted 2-acylamino 5-thiazole, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-12-16 EP 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 ALDH1A1 582/4885MAPT 3954/4885CYP1A2 321/4885

“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.