SCHEMBL1132575

SCHEMBL1132575

NNc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 3/20 0.63
KIF11 P52732 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
PDE2A O00408 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL1133023 0.84 MCL1 (0.51) ALDH1A1MAPTMEN1KMT2AMCL1
SCHEMBL11414327 0.80 ALDH1A1 (0.58) ALDH1A1MAPTKIF11CA1CA2
SCHEMBL1768902 0.80 ALDH1A1 (0.54) ALDH1A1MAPTKIF11CA1CA2
SCHEMBL3161607 0.78 ALDH1A1 (0.53) ALDH1A1MAPTKIF11CA1CA2
SCHEMBL5118478 0.78 ALDH1A1 (0.68) ALDH1A1MAPTCA1CA2CA9
SCHEMBL3380576 0.78 CA1 (0.47) ALDH1A1MAPTKIF11CA1CA2
Hydrochloric Acid SCHEMBL5745586 0.77 ALDH1A1 (0.51) ALDH1A1MAPTKIF11CA1CA2
SCHEMBL6833581 0.77 ALDH1A1 (0.72) ALDH1A1MAPTKIF11CA1CA2
SCHEMBL11879670 0.77 ALDH1A1 (0.63) ALDH1A1MAPTKIF11CA1CA2
SCHEMBL31126473 0.77 ALDH1A1 (0.72) ALDH1A1MAPTKIF11CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655468-A Novel synthesis method of 2, 6-dichloro-4-trifluoromethylaniline 江苏丰华化学工业有限公司 2020-01-07 CN disclosed
US-9512066-B2 Enhancers of protein degradation MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2016-12-06 US disclosed
US-20140323300-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-10-30 US disclosed
EP-2788331-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2014-10-15 EP disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
WO-2013106254-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-07-18 WO disclosed
WO-2013083774-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-06-13 WO disclosed
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP disclosed
US-20120282629-A1 Enhancers of Protein Degradation MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2012-11-08 US disclosed
EP-2488485-A1 ENHANCERS OF PROTEIN DEGRADATION Max-Delbrück-Centrum für Molekulare Medizin (DE) 2012-08-22 EP disclosed
EP-0224094-A2 1-Aryl-pyrazole BAYER AG (DE) 1987-06-03 EP disclosed
US-4629495-A Herbicidal 5-amino-4-cyano-1-phenylpyrazoles MAY & BAKER LIMITED (GB) 1986-12-16 US disclosed
EP-0084033-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-10-02 EP disclosed
US-4541963-A HERBICIDAL PENYLPYRAZOLE INTERMEDIATES MAY & BAKER LIMITED (GB) 1985-09-17 US disclosed
US-4505740-A Herbicidal 5-amino-4-cyano-1-phenyl-pyrazoles MAY & BAKER LIMITED (GB) 1985-03-19 US disclosed
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 US disclosed
EP-0084033-A1 N-PHENYLPYRAZOLE DERIVATIVES. MAY & BAKER LTD (GB) 1983-07-27 EP disclosed
EP-0083613-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES. MAY & BAKER LTD (GB) 1983-07-20 EP disclosed
WO-1983000331-A1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 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 (2 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-20120282629-A1 Enhancers of Protein Degradation HTT, HYPK, TFEB ALDH1A1 4337/4885MAPT 149/4885KIF11 3043/4885
US-20140323300-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 ALDH1A1 71/4885MAPT 3793/4885KIF11 2158/4885

“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.