SCHEMBL1170624

SCHEMBL1170624

[NH]C(=O)CCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.69
HDAC2 Q92769 4/20 0.69
HDAC3 O15379 3/20 0.69
HDAC8 Q9BY41 3/20 0.69
HDAC6 Q9UBN7 3/20 0.69
HDAC5 Q9UQL6 3/20 0.69
HDAC4 P56524 2/20 0.69
HDAC7 Q8WUI4 2/20 0.69
HDAC10 Q969S8 2/20 0.69
HDAC11 Q96DB2 2/20 0.69
HDAC9 Q9UKV0 2/20 0.69
MAPK1 P28482 1/20 0.69
ADRA1A P35348 1/20 0.69
SLC6A3 Q01959 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
NPC1 O15118 1/20 0.62
CASP3 P42574 1/20 0.62
RAB9A P51151 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62

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
SCHEMBL2491503 0.94 MAPT (0.68) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL9129396 0.92 MAPT (0.71) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6561091 0.92 MAPT (0.71) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3244035 0.92 MAPT (0.71) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL468378 0.86 KEAP1 (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL21219015 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1716 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5674267 0.82 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1021513 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL2010634 0.80 HDAC1 (0.95) HDAC1HDAC2HDAC3HDAC8HDAC6

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 95 patents — showing the first 20. 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 claimed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP claimed
US-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2010-07-01 US claimed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO claimed
EP-2198710-A1 Use of 5-pyridin-4yl-(1,3) thiazoles for combating phytopathogenic fungi Bayer CropScience AG (DE) 2010-06-23 EP claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-0316820-B1 THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-22 EP claimed
US-4921887-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-01 US claimed
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
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (3 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 HDAC1 2639/4885HDAC2 1820/4885HDAC3 1619/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HDAC1 1910/4885HDAC2 2996/4885HDAC3 2281/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 HDAC1 1902/4885HDAC2 2601/4885HDAC3 1562/4885

“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.