SCHEMBL1992298

SCHEMBL1992298

CSc1[c]cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.38
GABRA2 P47869 17/20 0.38
GABRB2 P47870 17/20 0.38
GABRP O00591 15/20 0.38
GABRD O14764 15/20 0.38
GABRA1 P14867 15/20 0.38
GABRB1 P18505 15/20 0.38
GABRG2 P18507 15/20 0.38
GABRA5 P31644 15/20 0.38
GABRA3 P34903 15/20 0.38
GABRA4 P48169 15/20 0.38
GABRE P78334 15/20 0.38
GABRA6 Q16445 15/20 0.38
GABRG1 Q8N1C3 15/20 0.38
GABRG3 Q99928 15/20 0.38
GABRQ Q9UN88 15/20 0.38
PDE2A O00408 1/20 0.35
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL2333762 0.74 PLAU (0.37) GABRA2GABRB2PDE2ARAB9ASMN1; SMN2
SCHEMBL17238705 0.72 PLAU (0.36) GABRA2GABRB2PDE2ASMN1; SMN2PLAU
SCHEMBL715069 0.72 PLAU (0.36) GABRB3GABRA2GABRB2PDE2ARAB9A
SCHEMBL28220138 0.71 ALDH1A1 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL630411 0.71 PLAU (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL19471036 0.71 NOTUM (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL16858738 0.70 KMT2A (0.35) PDE2ARAB9ASMN1; SMN2PLAU
SCHEMBL17238695 0.68 PDE2A (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6378825 0.66 PDE2A (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL17434720 0.64 CES2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 US 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS GABRB3 257/4885GABRA2 671/4885GABRB2 484/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS GABRB3 598/4885GABRA2 1369/4885GABRB2 802/4885

“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.