SCHEMBL16202018

SCHEMBL16202018

Cc1ncn(-c2ccc(F)cc2F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 1/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
GRM5 P41594 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL30294071 0.83 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273734 0.83 ALDH1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154207 0.83 TP53 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878633 0.83 MAPT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL512436 0.83 MAPT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20085553 0.81 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20094519 0.81 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156294 0.80 GPR119 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13954084 0.79 SIGMAR1 (0.36) NPC1RAB9AOPRM1GAAL3MBTL1
SCHEMBL13934533 0.79 CNR2 (0.38) NPC1RAB9AOPRM1GAAL3MBTL1

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 PSEN1 701/4885PSEN2 1397/4885APH1B 1701/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 PSEN1 898/4885PSEN2 1136/4885APH1B 2227/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 PSEN1 898/4885PSEN2 1136/4885APH1B 2227/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PSEN1 1460/4885PSEN2 1821/4885APH1B 1218/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PSEN1 1460/4885PSEN2 1821/4885APH1B 1218/4885

“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.