SCHEMBL16202099

SCHEMBL16202099

CCc1nc(-c2ccc(C)c(C)c2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.55
S1PR3 Q99500 1/20 0.55
MAPT P10636 5/20 0.53
ACACB O00763 2/20 0.53
ACACA Q13085 2/20 0.53
TSHR P16473 2/20 0.53
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
TP53 P04637 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 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
SCHEMBL8415707 0.86 FFAR1 (0.53) S1PR1S1PR3MAPTACACBACACA
SCHEMBL6624140 0.86 ACACB (0.50) S1PR1S1PR3MAPTACACBACACA
SCHEMBL28869598 0.85 MAPT (0.52) S1PR1S1PR3MAPTTSHRNPC1
SCHEMBL10053485 0.81 SMN1; SMN2 (0.63) MAPTACACBACACATSHRNPC1
SCHEMBL26887359 0.80 L3MBTL1 (0.49) S1PR1S1PR3MAPTTSHRNPC1
SCHEMBL8592557 0.79 ACACB (0.59) MAPTACACBACACATSHRNPC1
SCHEMBL12267104 0.79 L3MBTL1 (0.67) S1PR1S1PR3MAPTTSHRNPC1
SCHEMBL12866 0.79 RAB9A (0.69) S1PR1S1PR3MAPTTSHRNPC1
SCHEMBL16367708 0.78 MAPK1 (0.56) MAPTTSHRNPC1RAB9ATP53
SCHEMBL16367707 0.78 MAPT (0.46) S1PR1S1PR3MAPTTSHRNPC1

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 S1PR1 2586/4885S1PR3 3468/4885MAPT 1798/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 S1PR1 2282/4885S1PR3 2608/4885MAPT 1392/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 S1PR1 2282/4885S1PR3 2608/4885MAPT 1392/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB S1PR1 4276/4885S1PR3 4684/4885MAPT 2644/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB S1PR1 4276/4885S1PR3 4684/4885MAPT 2644/4885

“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.