SCHEMBL16201983

SCHEMBL16201983

Cc1ccc(-n2ccc(C)n2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
TDO2 P48775 1/20 0.42
NPC1 O15118 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.42
METAP2 P50579 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HCRTR1 O43613 3/20 0.35
POLB P06746 1/20 0.34
ADORA2A P29274 2/20 0.34
AVPR2 P30518 1/20 0.34
ALOX5AP P20292 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL16201988 0.86 MAPT (0.53) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL17772771 0.84 MAPT (0.51) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL16201984 0.83 GAA (0.50) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL29572778 0.83 BCHE (0.40) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15639297 0.83 BCHE (0.40) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL10262764 0.81 ALDH1A1 (0.56) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL17764741 0.79 BCHE (0.38) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL17720575 0.79 RAB9A (0.53) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL8243936 0.79 ALDH1A1 (0.53) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL2615993 0.78 MAPT (0.52) RAB9AMAPTKDM4EALDH1A1GAA

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 RAB9A 2110/4885MAPT 1798/4885KDM4E 4284/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 RAB9A 2327/4885MAPT 1392/4885KDM4E 3917/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 RAB9A 2327/4885MAPT 1392/4885KDM4E 3917/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB RAB9A 1342/4885MAPT 2644/4885KDM4E 3206/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB RAB9A 1342/4885MAPT 2644/4885KDM4E 3206/4885

“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.