SCHEMBL16202029

SCHEMBL16202029

CCc1ccc(-n2cnc(C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
ALOX15B O15296 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPK10 P53779 4/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGLL Q99685 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38

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
SCHEMBL20390636 0.86 MGLL (0.42) MEN1KMT2AHPGDALOX15BALDH1A1
SCHEMBL13183810 0.80 ALDH1A1 (0.45) MEN1KMT2AHPGDALOX15BALDH1A1
SCHEMBL13822240 0.80 NPC1 (0.43) MEN1KMT2AHPGDALOX15BALDH1A1
SCHEMBL25532530 0.80 MGLL (0.45) MEN1KMT2AHPGDALOX15BALDH1A1
SCHEMBL16202004 0.79 NQO1 (0.48) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL15299233 0.77 MAPK10 (0.42) MEN1KMT2AHPGDALOX15BALDH1A1
SCHEMBL16202024 0.77 MAPK10 (0.42) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL4873943 0.77 MAPK10 (0.42) MEN1KMT2AHPGDALOX15BALDH1A1
SCHEMBL719952 0.77 MAPK10 (0.42) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL719104 0.77 MAPT (0.46) MAPK10CYP3A4PSEN1PSEN2APH1B

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 MEN1 2118/4885KMT2A 3783/4885HPGD 3695/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 MEN1 3302/4885KMT2A 3043/4885HPGD 4296/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 MEN1 3302/4885KMT2A 3043/4885HPGD 4296/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MEN1 2720/4885KMT2A 3197/4885HPGD 1585/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MEN1 2720/4885KMT2A 3197/4885HPGD 1585/4885

“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.