SCHEMBL16202096

SCHEMBL16202096

Cc1ccn(-c2ccc(Cl)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KAT6A Q92794 2/20 0.42
AVPR2 P30518 7/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACKR3 P25106 1/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
NOTUM Q6P988 1/20 0.37
CYP11B2 P19099 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL16201986 0.87 KCNH2 (0.46) KCNH2HTTMAPTRAB9AKDM4E
SCHEMBL2615992 0.84 NOTUM (0.51) HTTMAPTRAB9AKDM4EALDH1A1
SCHEMBL16911624 0.80 RAB9A (0.54) HTTMAPTRAB9AKDM4EALDH1A1
SCHEMBL20249915 0.80 KCNH2 (0.40) KCNH2ALDH1A1ACKR3NOTUMCYP11B2
SCHEMBL28103272 0.80 KCNH2 (0.40) KCNH2ACKR3NOTUMCYP11B2SIGMAR1
SCHEMBL3833826 0.80 HTT (0.47) HTTMAPTRAB9AKDM4EALDH1A1
SCHEMBL16201987 0.80 NOTUM (0.58) KCNH2HTTMAPTRAB9AKDM4E
SCHEMBL25735722 0.79 AVPR2 (0.46) HTTMAPTRAB9AKDM4EALDH1A1
SCHEMBL16201985 0.79 KAT6A (0.46) KCNH2HTTMAPTRAB9AKDM4E
SCHEMBL16202105 0.79 RAB9A (0.47) HTTMAPTRAB9AKDM4EALDH1A1

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 KCNH2 3747/4885HTT 3148/4885MAPT 1798/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 KCNH2 4214/4885HTT 2598/4885MAPT 1392/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 KCNH2 4214/4885HTT 2598/4885MAPT 1392/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KCNH2 1781/4885HTT 2375/4885MAPT 2644/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KCNH2 1781/4885HTT 2375/4885MAPT 2644/4885

“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.