SCHEMBL2286405

SCHEMBL2286405

CC(=O)c1sc(C2CCCCC2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 8/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 4/20 0.39
HPGD P15428 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
BTK Q06187 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL4762312 0.87 ALDH1A1 (0.47) TSHRGAALMNAALDH1A1RAB9A
SCHEMBL18114152 0.85 ALDH1A1 (0.49) TSHRGAALMNAALDH1A1RAB9A
SCHEMBL6114008 0.83 RXFP1 (0.37) TSHRRXFP1CYP1A2GAACYP2C9
Bromide SCHEMBL6121735 0.81 SMN1; SMN2 (0.37) TSHRRXFP1CYP1A2GAACYP2C9
SCHEMBL19936549 0.81 ALDH1A1 (0.54) GAALMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL21858616 0.81 ALDH1A1 (0.49) TSHRGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL4762073 0.80 CASP3 (0.51) TSHRGAALMNAALDH1A1RAB9A
SCHEMBL6761817 0.77 ALDH1A1 (0.52) TSHRGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL2287070 0.77 ALDH1A1 (0.50) TSHRGAALMNAALDH1A1RAB9A
SCHEMBL26632556 0.76 BTK (0.42) TSHRCYP1A2LMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
EP-1928243-A2 THIAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007033780-A2 THIAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2007-03-29 WO 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 (2 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX TSHR 18/4885RXFP1 70/4885CYP1A2 25/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 TSHR 19/4885RXFP1 61/4885CYP1A2 23/4885

“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.