SCHEMBL3577417

SCHEMBL3577417

Oc1nnc(O)c(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RPS6KA3 P51812 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SRC P12931 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
RIPK2 O43353 1/20 0.39
EGFR P00533 1/20 0.39
TNK2 Q07912 1/20 0.39
PTK6 Q13882 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
AMY1A P0DUB6 1/20 0.38

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 0.78 NPC1 (0.39) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL3577494 0.75 ALOX5 (0.43) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL3577413 0.73 HSD11B1 (0.44) SMN1; SMN2TSHRHSD17B10ALDH1A1CYP3A4
SCHEMBL3574012 0.72 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ECYP3A4
SCHEMBL28904967 0.71 SRC (0.39) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL4391202 0.70 CASP1 (0.40) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL3583083 0.68 NPSR1 (0.33) KDM4EHSD17B10ESR1
SCHEMBL3583299 0.67 GCGR (0.50) RAB9ASMN1; SMN2KDM4ESRCBRAF
SCHEMBL8846244 0.67 SRC (0.37) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL2767670 0.66 ESR2 (0.48) SMN1; SMN2TSHRHSD17B10ALDH1A1CYP3A4

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 NPC1 3839/4885TP53 3402/4885RAB9A 2942/4885

“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.