SCHEMBL7032071

SCHEMBL7032071

CSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.53
GABRA2 P47869 20/20 0.53
GABRB2 P47870 20/20 0.53
GABRP O00591 19/20 0.53
GABRD O14764 19/20 0.53
GABRA1 P14867 19/20 0.53
GABRB1 P18505 19/20 0.53
GABRG2 P18507 19/20 0.53
GABRA5 P31644 19/20 0.53
GABRA3 P34903 19/20 0.53
GABRA4 P48169 19/20 0.53
GABRE P78334 19/20 0.53
GABRA6 Q16445 19/20 0.53
GABRG1 Q8N1C3 19/20 0.53
GABRG3 Q99928 19/20 0.53
GABRQ Q9UN88 19/20 0.53
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6055815 0.90 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7023296 0.84 GABRB3 (0.56) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13917635 0.84 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055669 0.83 GABRP (0.67) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7022491 0.83 GABRB3 (0.55) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13134025 0.81 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7805802 0.81 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13134033 0.81 GABRP (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13134022 0.81 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4082183 0.80 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638956-B2 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2003-10-28 US disclosed
US-20030144251-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2003-07-31 US disclosed
US-6500850-B2 1-ARYLPYRAZOLE OXIME DERIVATIVES; SAFE SYSTEMIC INSECTICIDES FOR CONTROL OF ARTHROPOD, NEMATODE, HELMINTH OR PROTOZOAN PESTS RHONE-POULENC INC. 2002-12-31 US disclosed
EP-0948485-B1 PESTICIDAL 1-ARYLPYRAZOLES AVENTIS CROPSCIENCE SA (FR) 2002-09-25 EP disclosed
US-20020045758-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2002-04-18 US disclosed
US-6350771-B1 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2002-02-26 US disclosed
EP-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 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-20020045758-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 GABRB3 1485/4885GABRA2 2380/4885GABRB2 1699/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 GABRB3 1485/4885GABRA2 2380/4885GABRB2 1699/4885

“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.