SCHEMBL2513271

SCHEMBL2513271

CC(C)c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
ALOX5 P09917 3/20 0.58
ALDH1A1 P00352 2/20 0.58
AR P10275 4/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
NPY5R Q15761 1/20 0.46
SREBF2 Q12772 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TACR3 P29371 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2609421 0.84 RAB9A (0.53) RAB9AALOX5ALDH1A1ARKDM4E
SCHEMBL22824711 0.84 MAPT (0.45) RAB9AALOX5ALDH1A1KDM4ENPC1
SCHEMBL2228063 0.82 RAB9A (0.50) RAB9AALOX5ALDH1A1ARKDM4E
SCHEMBL2225442 0.82 RAB9A (0.54) RAB9AALOX5ALDH1A1ARKDM4E
SCHEMBL10052165 0.82 KMT2A (0.58) RAB9AALDH1A1ARKDM4ENPC1
SCHEMBL12297331 0.82 RAB9A (0.56) RAB9AALDH1A1KDM4ENPC1MEN1
SCHEMBL2222772 0.82 ATP4A (0.49) RAB9AALOX5ALDH1A1ARKDM4E
SCHEMBL2609415 0.82 RAB9A (0.56) RAB9AALOX5ALDH1A1KDM4ENPC1
SCHEMBL2754043 0.81 ALDH1A1 (0.55) RAB9AALDH1A1ARKDM4ENPC1
SCHEMBL14558317 0.81 RAB9A (0.50) RAB9AARKDM4ENPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP disclosed
US-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2010-07-01 US disclosed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 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-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi PIR, PNPO, PDXK RAB9A 4457/4885ALOX5 636/4885ALDH1A1 2137/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 RAB9A 1293/4885ALOX5 117/4885ALDH1A1 840/4885

“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.