SCHEMBL476813

SCHEMBL476813

Clc1cccc2sncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 3/20 0.44
NOS1 P29475 1/20 0.39
LMNA P02545 3/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TRPM5 Q9NZQ8 3/20 0.36
NR4A2 P43354 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL21729966 0.74 CSF1R (0.35) ALDH1A1CSF1RFLT1RPS6KB1KDR
SCHEMBL22969780 0.74 NOS1 (0.39) NOS1ALDH1A1CSF1RFLT1RPS6KB1
SCHEMBL658519 0.74 NOS1 (0.39) NOS1ALDH1A1CSF1RFLT1RPS6KB1
SCHEMBL11092129 0.74 CSF1R (0.39) LMNAALDH1A1TRPM5CSF1RFLT1
SCHEMBL12043521 0.74 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1TRPM5CSF1R
SCHEMBL911600 0.74 KDM4E (0.39) CYP1A2LMNAALDH1A1CSF1RFLT1
SCHEMBL8976268 0.74 ALDH1A1 (0.44) CYP1A2LMNAALDH1A1NR4A2CSF1R
SCHEMBL26420 0.70 TRPM5 (0.45) CYP1A2CYP2A6NOS1LMNAPDE10A
SCHEMBL21729955 0.69 CSF1R (0.35) ALDH1A1CSF1RFLT1RPS6KB1KDR
SCHEMBL21026107 0.69 CA2 (0.39) ALDH1A1CSF1RFLT1RPS6KB1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed
EP-0454621-B1 Nematicide agents NOVARTIS AG (CH) 2000-07-12 EP disclosed
US-5447945-A Controlling or preventing nematocidal attack on cultivated plants with nitro- or halo-substituted benzisothiazoles CIBA-GEIGY CORPORATION (US) 1995-09-05 US disclosed
US-5169951-A PROCESS FOR PREPARING NEMATICIDAL COMPOSITIONS CIBA-GEIGY CORPORATION (US) 1992-12-08 US disclosed
EP-0454621-A2 Nematicide agents CIBA-GEIGY AG (CH) 1991-10-30 EP disclosed
EP-0033984-B1 NEW SULPHONYL COMPOUNDS, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS APHICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-06-06 EP disclosed
EP-0039795-B1 PROCESS FOR THE PREPARATION OF 1,2-BENZISOTHIAZOLES BASF Aktiengesellschaft (DE) 1983-10-12 EP disclosed
EP-0011188-B1 PROCESS FOR PREPARING CYANOARYL ETHERS AND CYANOARYL THIOETHERS BASF Aktiengesellschaft (DE) 1982-04-28 EP disclosed
EP-0039795-A1 Process for the preparation of 1,2-benzisothiazoles BASF Aktiengesellschaft (DE) 1981-11-18 EP disclosed
EP-0011188-A2 Process for preparing cyanoaryl ethers and cyanoaryl thioethers BASF Aktiengesellschaft (DE) 1980-05-28 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK CYP1A2 2457/4885CYP2A6 732/4885NOS1 2094/4885

“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.