SCHEMBL16202084

SCHEMBL16202084

CCc1ccc(-n2cc(C)c(C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 7/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGLL Q99685 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL695738 0.84 NPC1 (0.35) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL25890493 0.84 ADORA3 (0.45) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL19443357 0.84 CYP1A2 (0.42) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL25890477 0.80 ADORA3 (0.39) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL24185328 0.77 PTGS2 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2611844 0.77 NPC1 (0.44) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL16202074 0.77 CNR1 (0.47) NPC1RAB9AMEN1KMT2AADORA3
SCHEMBL25762420 0.74 P2RX7 (0.40) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL16202085 0.73 NOTUM (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL24409427 0.73 ALDH1A1 (0.47) RAB9AMEN1KMT2AALDH1A1KDM4E

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 NPC1 634/4885RAB9A 2110/4885MEN1 2118/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NPC1 753/4885RAB9A 2327/4885MEN1 3302/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NPC1 753/4885RAB9A 2327/4885MEN1 3302/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NPC1 601/4885RAB9A 1342/4885MEN1 2720/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NPC1 601/4885RAB9A 1342/4885MEN1 2720/4885

“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.