SCHEMBL940270

SCHEMBL940270

O=C(O)Cc1cnc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
CA2 P00918 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
CXCL8 P10145 4/20 0.38
NAPRT Q6XQN6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
CAMK2A Q9UQM7 3/20 0.36
CYP2C9 P11712 1/20 0.36
CHRM1 P11229 1/20 0.36
P2RX7 Q99572 1/20 0.36
AKR1B10 O60218 1/20 0.36
UGT1A9 O60656 1/20 0.36
TRPA1 O75762 1/20 0.36
ABCB11 O95342 1/20 0.36
MT-CO2 P00403 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
SCHEMBL939692 0.85 FABP4 (0.39) AKR1B1CA2CXCL8NAPRTKDM4E
SCHEMBL38666455 0.78 GABRP (0.45) AKR1B1P4HTMNAPRTKDM4ECYP1A2
SCHEMBL29411201 0.75 PDXK (0.44) KDM4EMAPTLMNAP2RX7
SCHEMBL992612 0.75 PDXK (0.44) KDM4EMAPTLMNAP2RX7
SCHEMBL11966906 0.75 NOS3 (0.41) MAPTL3MBTL1
SCHEMBL30696909 0.75 NOS3 (0.41) MAPTL3MBTL1
SCHEMBL20722980 0.74 USP2 (0.47) KDM4EMAPTLMNAL3MBTL1CYP2C9
SCHEMBL20722978 0.74 USP2 (0.47) KDM4EMAPTLMNAL3MBTL1CYP2C9
SCHEMBL4837065 0.73 AKR1B1 (0.45) AKR1B1CA2CXCL8CAMK2ACYP2C9
SCHEMBL29758580 0.73 KMT2A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-29 US disclosed
EP-3307715-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
WO-2016198374-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO disclosed
EP-2254416-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2016-09-07 EP disclosed
US-8653078-B2 Herbicidal pyrido[2,3-b]pyrazines SYNGENTA LIMITED 2014-02-18 US disclosed
US-20130137574-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-05-30 US disclosed
US-8338598-B2 Herbicidal pyrido[2,3-B]pyrazines and their use as herbicides SYNGENTA LIMITED 2012-12-25 US disclosed
US-20110021351-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2254416-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 EP disclosed
WO-2009090402-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 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 (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-20130137574-A1 HERBICIDAL COMPOUNDS DDT, CBR3, CBR1 AKR1B1 58/4885CA2 306/4885P4HTM 490/4885
US-20110021351-A1 HERBICIDAL COMPOUNDS DDT, CBR3, TH AKR1B1 195/4885CA2 266/4885P4HTM 452/4885
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES ARSA, SULT2A1, TPST2 AKR1B1 859/4885CA2 2486/4885P4HTM 649/4885

“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.