SCHEMBL231409

SCHEMBL231409

O=C1N=C(N(Cc2ccc(Cl)nc2)CC(F)F)CO1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL29571833 1.00 MEN1 (0.33) MEN1KMT2AATMCHRNA1CHRNB2
SCHEMBL231963 0.87 DRD2 (0.32)
SCHEMBL230087 0.86 PARP1 (0.32)
SCHEMBL230686 0.84 CHRNA1 (0.32) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL29572122 0.84 ALDH1A1 (0.36) MEN1KMT2AATMALDH1A1
SCHEMBL230649 0.84 ALDH1A1 (0.36) MEN1KMT2AATMALDH1A1
SCHEMBL231789 0.83 ALDH1A1 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL231678 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29571581 0.80 ALDH1A1 (0.37) MEN1KMT2AATMALDH1A1PSEN1
SCHEMBL230085 0.80 ALDH1A1 (0.37) MEN1KMT2AATMALDH1A1PSEN1

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 317 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
EP-3490379-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2019-06-05 EP claimed
US-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-30 US claimed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP claimed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP claimed
WO-2018019676-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-01 WO claimed
EP-2925142-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2018-01-31 EP claimed
US-9867377-B2 Composition comprising a biological control agent and an insecticide BAYER CROPSCIENCE AG (DE) 2018-01-16 US claimed
US-20170265479-A1 COMPOSITION COMPRISING BIOLOGICAL CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2017-09-21 US claimed
US-9642363-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2017-05-09 US claimed
EP-2699092-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND Bayer Intellectual Property GmbH (DE) 2014-02-26 EP claimed
US-20140051576-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-20 US claimed
EP-2606726-A1 N-Arylamidine-substituted trifluoroethylsulfide derivatives as acaricides and insecticides Bayer CropScience AG (DE) 2013-06-26 EP claimed
EP-2604118-A1 Active ingredient combinations having insecticidal and acaricidal properties Bayer CropScience AG (DE) 2013-06-19 EP claimed
EP-2587922-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-08 EP claimed
WO-2012143125-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND BAYER CROPSCIENCE AG (DE) 2012-10-26 WO claimed
WO-2012082542-A2 SOYBEAN EVENT SYHT04R AND COMPOSITIONS AND METHODS FOR DETECTION THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 WO claimed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US claimed
WO-2012000902-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 WO claimed
US-20110311503-A1 Active ingredient combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2011-12-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BROX, CAT, MPG MEN1 1143/4885KMT2A 3113/4885ATM 1753/4885
US-20140051576-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND AADAC, TUBA3C, ACACA MEN1 4655/4885KMT2A 1363/4885ATM 3803/4885
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES DDT, PRMT9, PNISR MEN1 2170/4885KMT2A 2642/4885ATM 4244/4885
US-20110311503-A1 Active ingredient combinations having insecticidal and acaricidal properties ACHE, ACAT1, ACAT2 MEN1 3346/4885KMT2A 2896/4885ATM 2414/4885

“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.