SCHEMBL3577413

SCHEMBL3577413

Oc1nnc(O)c(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
PDK2 Q15119 1/20 0.38
ACLY P53396 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.35
KCNN4 O15554 1/20 0.35
CHRM1 P11229 4/20 0.34
DHODH Q02127 1/20 0.34
GRM2 Q14416 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CHRM5 P08912 1/20 0.34
HPRT1 P00492 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
SCHEMBL3577417 0.73 NPC1 (0.42) ACLYCYP3A4ALDH1A1TSHRRECQL
SCHEMBL21583436 0.73 ACMSD (0.42) HSD11B1CYP3A4ALDH1A1TSHRRECQL
SCHEMBL8974306 0.70 DHODH (0.44) HSD11B1ALDH1A1LMNASMN1; SMN2CHRM1
SCHEMBL24028814 0.70 AHR (0.43) CYP3A4LMNASMN1; SMN2HPRT1
SCHEMBL25422276 0.69 MAPT (0.53) CYP3A4ALDH1A1RECQLHSD17B10SMN1; SMN2
SCHEMBL31010714 0.69 APEX1 (0.43) HSD11B1PDK2CYP3A4LMNASMN1; SMN2
SCHEMBL24582132 0.69 APEX1 (0.43) HSD11B1PDK2CYP3A4LMNASMN1; SMN2
SCHEMBL17407435 0.68 PDK2 (0.47) HSD11B1PDK2LMNASMN1; SMN2KCNN4
SCHEMBL16013714 0.68 CYP3A4 (0.39) HSD11B1CYP3A4ALDH1A1TSHRDPP4
SCHEMBL22760434 0.67 ALDH1A1 (0.46) PDK2CYP3A4ALDH1A1TSHRRECQL

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 HSD11B1 1168/4885PDK2 279/4885ACLY 2608/4885

“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.