SCHEMBL16202087

SCHEMBL16202087

Cc1cc(C)c(-c2cnco2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
IMPDH2 P12268 11/20 0.44
IMPDH1 P20839 4/20 0.44
AAK1 Q2M2I8 1/20 0.41
PTK2 Q05397 1/20 0.41
NOTUM Q6P988 1/20 0.38
GAA P10253 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 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
SCHEMBL1806540 0.85 IMPDH2 (0.46) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL14108190 0.78 IMPDH2 (0.43) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL1804119 0.78 AAK1 (0.49) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL12907859 0.76 IMPDH2 (0.60) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL26465053 0.76 IMPDH2 (0.48) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL6607846 0.76 GAA (0.53) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL6168364 0.76 IMPDH2 (0.65) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL16371297 0.76 IMPDH2 (0.45) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL9260678 0.74 IMPDH2 (0.53) LMNAPKMIMPDH2IMPDH1AAK1
SCHEMBL16775707 0.74 LMNA (0.52) LMNAPKMIMPDH2IMPDH1AAK1

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-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 US 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 LMNA 4479/4885PKM 4626/4885IMPDH2 2179/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 LMNA 4670/4885PKM 4741/4885IMPDH2 3049/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 LMNA 4670/4885PKM 4741/4885IMPDH2 3049/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB LMNA 3613/4885PKM 4410/4885IMPDH2 1491/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB LMNA 3613/4885PKM 4410/4885IMPDH2 1491/4885

“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.