SCHEMBL3585475

SCHEMBL3585475

O=C1OC(=O)C(c2c(F)cc(F)cc2F)=C1c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.36
GABRD O14764 4/20 0.36
GABRA1 P14867 4/20 0.36
GABRB1 P18505 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRB2 P47870 4/20 0.36
GABRA4 P48169 4/20 0.36
GABRE P78334 4/20 0.36
GABRA6 Q16445 4/20 0.36
GABRG1 Q8N1C3 4/20 0.36
GABRG3 Q99928 4/20 0.36
GABRQ Q9UN88 4/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL29505054 0.74 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL3575369 0.69 MAPT (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19411262 0.68 AHR (0.44) KDM4EGAA
SCHEMBL571799 0.67 MAPK1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9270824 0.66 PDE4B (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17430598 0.65 ALDH1A1 (0.44) ALDH1A1TSHRTNKSMEN1MAPT
SCHEMBL571569 0.65 MEN1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3576396 0.65 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19269464 0.64 ALDH1A1 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL854628 0.64 TGM2 (0.38) ALDH1A1TSHRTDP1

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-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 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 (1 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-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 GABRP 2236/4885GABRD 2735/4885GABRA1 820/4885

“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.