SCHEMBL16201987

SCHEMBL16201987

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.58
AR P10275 2/20 0.51
KCNH2 Q12809 2/20 0.49
DDT P30046 1/20 0.41
HTT P42858 1/20 0.41
PHGDH O43175 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2615992 0.80 NOTUM (0.51) NOTUMHTTAVPR2KDM4EALDH1A1
SCHEMBL16202096 0.80 KCNH2 (0.46) NOTUMKCNH2HTTAVPR2AVPR1A
SCHEMBL13122734 0.79 HTT (0.39) NOTUMARHTTAVPR2AVPR1A
SCHEMBL15832402 0.78 AR (0.56) AR
SCHEMBL6614088 0.78 AVPR2 (0.51) NOTUMARHTTAVPR2AVPR1A
SCHEMBL16574131 0.78 KCNH2 (0.44) NOTUMKCNH2KDM4EALDH1A1GAA
SCHEMBL16201999 0.78 NOTUM (0.57) NOTUMARKCNH2DDTGPR119
SCHEMBL16201986 0.76 KCNH2 (0.46) KCNH2HTTAVPR2AVPR1ARXRA
SCHEMBL25735722 0.76 AVPR2 (0.46) HTTAVPR2AVPR1AKDM4EALDH1A1
SCHEMBL6616696 0.74 AVPR2 (0.48) NOTUMARHTTAVPR2AVPR1A

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 NOTUM 2417/4885AR 4594/4885KCNH2 3747/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NOTUM 2527/4885AR 4222/4885KCNH2 4214/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NOTUM 2527/4885AR 4222/4885KCNH2 4214/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885AR 4177/4885KCNH2 1781/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885AR 4177/4885KCNH2 1781/4885

“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.