SCHEMBL16202060

SCHEMBL16202060

Cc1cccc(-c2cnn(-c3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSP90AA1 P07900 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 2/20 0.44

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
SCHEMBL16789159 0.90 GRM4 (0.49) GRM4NPC1RAB9AKMT2AALDH1A1
SCHEMBL182407 0.84 NPC1 (0.54) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL182222 0.83 MEN1 (0.69) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL19902047 0.83 CYP11B2 (0.51) GRM4KMT2AALDH1A1HPGDMAPT
SCHEMBL515503 0.82 GAA (0.59) GRM4NPC1RAB9AKMT2AALDH1A1
SCHEMBL12235677 0.81 GRM4 (0.56) GRM4NPC1RAB9AKMT2AALDH1A1
SCHEMBL17736002 0.81 GAA (0.57) GRM4NPC1RAB9AHPGDMAPT
SCHEMBL23144535 0.81 MAOA (0.53) GRM4NPC1RAB9AKMT2AALDH1A1
SCHEMBL29664332 0.81 MAOA (0.53) GRM4NPC1RAB9AKMT2AALDH1A1
SCHEMBL12235668 0.80 GRM4 (0.49) GRM4NPC1RAB9AALDH1A1HPGD

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 GRM4 2890/4885NPC1 634/4885RAB9A 2110/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 GRM4 1991/4885NPC1 753/4885RAB9A 2327/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 GRM4 1991/4885NPC1 753/4885RAB9A 2327/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GRM4 4174/4885NPC1 601/4885RAB9A 1342/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GRM4 4174/4885NPC1 601/4885RAB9A 1342/4885

“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.