SCHEMBL16202036

SCHEMBL16202036

Cc1cc(-c2ccc(F)cc2)nn1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN4A P35499 1/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC7 Q8WUI4 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
SCHEMBL14996633 0.84 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12988852 0.81 ESRRA (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14091695 0.81 NPC1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10112053 0.81 SMN1; SMN2 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11965497 0.80 MAPT (0.45) ALDH1A1APOBEC3GTDP1NPC1RAB9A
SCHEMBL5280031 0.80 RAB9A (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL25378139 0.80 ALDH1A1 (0.43) ALDH1A1APOBEC3GTDP1NPC1RAB9A
SCHEMBL17290616 0.79 MAPT (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31617619 0.79 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL15823564 0.79 SCN4A (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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 ALDH1A1 2106/4885APOBEC3G 4443/4885TDP1 2144/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 ALDH1A1 3309/4885APOBEC3G 4020/4885TDP1 2749/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 ALDH1A1 3309/4885APOBEC3G 4020/4885TDP1 2749/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885APOBEC3G 3761/4885TDP1 1107/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885APOBEC3G 3761/4885TDP1 1107/4885

“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.