SCHEMBL5386945

SCHEMBL5386945

CC(C)(C)CCOc1cc(Cl)ncn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MCHR1 Q99705 1/20 0.32
ELOVL1 Q9BW60 1/20 0.32
IDO1 P14902 1/20 0.31
P2RX3 P56373 2/20 0.30

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
SCHEMBL5394558 0.81 NUDT1 (0.42) HDAC1HDAC6HDAC5
SCHEMBL14376107 0.79 ENPP1 (0.41) HDAC1HDAC6HDAC5ELOVL1
SCHEMBL10187279 0.79 MCHR1 (0.41) MCHR1ELOVL1IDO1
SCHEMBL13316484 0.78 ALDH1A1 (0.38) HDAC1HDAC6HDAC5ELOVL1
SCHEMBL5393377 0.76 HDAC1 (0.37) HDAC1HDAC6HDAC5P2RX3
SCHEMBL13316481 0.76 BRAF (0.34) HDAC1HDAC6HDAC5ELOVL1
SCHEMBL22576164 0.76 HDAC1 (0.34) HDAC1HDAC6HDAC5ELOVL1
SCHEMBL10175737 0.76 ALOX5AP (0.32) MCHR1ELOVL1
SCHEMBL15933168 0.76 HDAC1 (0.36) HDAC1HDAC6HDAC5ELOVL1
SCHEMBL7486936 0.76 THRB (0.38) HDAC1HDAC6HDAC5ELOVL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014115834-A1 AZOLYL OXIME COMPOUND OR SALT THEREOF, PEST-CONTROL AGENT, INSECTICIDE OR ACARICIDE, DISINFECTANT, AND EXTERNAL PARASITE CONTROL AGENT 日本曹達株式会社 (JP) 2014-07-31 WO disclosed
US-7223769-B2 Pyrimidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-29 US disclosed
US-7223769-B2 Pyrimidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-29 US disclosed
US-7223769-B2 Pyrimidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-29 US disclosed
EP-1483249-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2006-09-06 EP disclosed
US-20050171130-A1 Pyrimidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-04 US disclosed
EP-1483249-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2004-12-08 EP disclosed
WO-2003076415-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-18 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 (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-20050171130-A1 Pyrimidine compounds and their use as pesticides C5, C1S, TYMS HDAC1 2812/4885HDAC6 4262/4885HDAC5 4176/4885

“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.