SCHEMBL16201994

SCHEMBL16201994

CCc1ccc(-n2ccc(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HDAC4 P56524 1/20 0.40
POLB P06746 2/20 0.40
MGLL Q99685 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OXTR P30559 2/20 0.39
AVPR1A P37288 2/20 0.39
AVPR2 P30518 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
SCHEMBL17924409 0.83 HTT (0.51) HTTRAB9ANPC1MAPTATM
SCHEMBL8222456 0.83 HTT (0.51) HTTRAB9ANPC1MAPTATM
SCHEMBL17090986 0.83 HTT (0.51) HTTRAB9ANPC1MAPTATM
Hydrochloric Acid SCHEMBL17091212 0.81 HTT (0.50) HTTRAB9ANPC1MAPTATM
SCHEMBL24258313 0.80 HTT (0.49) HTTRAB9ANPC1MAPTATM
SCHEMBL12422701 0.79 HTT (0.59) HTTRAB9ANPC1MAPTATM
SCHEMBL18504484 0.79 NPC1 (0.44) HTTRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL15352806 0.79 MGLL (0.39) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL25610919 0.79 MAPT (0.47) HTTRAB9ANPC1MAPTATM
SCHEMBL18725064 0.78 HTT (0.58) HTTRAB9ANPC1MAPTATM

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 7 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-8916709-B2 1,2,4-oxadiazole and 1,2,4-thiadiazole β-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2014-12-23 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 HTT 3148/4885RAB9A 2110/4885NPC1 634/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 HTT 2598/4885RAB9A 2327/4885NPC1 753/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 HTT 2598/4885RAB9A 2327/4885NPC1 753/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB HTT 2375/4885RAB9A 1342/4885NPC1 601/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB HTT 2375/4885RAB9A 1342/4885NPC1 601/4885

“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.