SCHEMBL3583083

SCHEMBL3583083

Oc1nnc(O)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
LMNA P02545 2/20 0.31
ADCY1 Q08828 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ALOX15 P16050 2/20 0.30
HSD17B10 Q99714 2/20 0.30
DHODH Q02127 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL3580926 0.83 NPC1 (0.39) NPSR1MAPTCNR1GPR55ESR1
SCHEMBL29505054 0.80 ALDH1A1 (0.39) NPSR1MAPTCYP17A1CYP21A2CYP11B1
SCHEMBL3572083 0.80 NPC1 (0.43) MAPTESR2GAAKDM4E
SCHEMBL3577116 0.80 EGFR (0.36) MAPTCNR1CNR2LMNAADCY1
SCHEMBL3576396 0.79 GABRA1 (0.34) NPSR1MAPTCYP17A1CYP21A2CYP11B1
SCHEMBL3577089 0.78 CASP1 (0.39) NPSR1MAPTCYP17A1CYP21A2CYP11B1
SCHEMBL3576850 0.71 CNR2 (0.43) MAPTCNR2HSD17B10KDM4E
SCHEMBL3575369 0.70 MAPT (0.40) NPSR1MAPTGAAGABRA1GABRG2
SCHEMBL3576935 0.70 PIK3CA (0.32) NPSR1MAPTHPGD
SCHEMBL3578503 0.69 GAA (0.31) MAPTCYP17A1ADCY1GAAHSD17B10

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 6 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 claimed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP claimed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 WO claimed
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 NPSR1 1198/4885MAPT 2684/4885CNR1 894/4885

“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.