SCHEMBL16202088

SCHEMBL16202088

Cc1cc(C)c(-c2cncn2C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
HTR6 P50406 7/20 0.43
HTR1A P08908 7/20 0.43
HTR7 P34969 7/20 0.43
HTR2A P28223 2/20 0.43
DRD2 P14416 2/20 0.43
LDLR P01130 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
HPGDS O60760 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DHFR P00374 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR2C P28335 1/20 0.35
BDKRB2 P30411 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL20646497 0.76 IDO1 (0.66) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL19732321 0.73 IDO1 (0.57) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL21233153 0.72 IDO1 (0.47) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL16785552 0.71 IDO1 (0.43) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL21128564 0.70 IDO1 (0.57) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL31747850 0.68 IDO1 (0.56) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL13354411 0.68 IDO1 (0.49) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL13341532 0.68 IDO1 (0.40) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL7832577 0.67 IDO1 (0.51) IDO1HTR6HTR1AHTR7HTR2A
SCHEMBL19174931 0.67 IDO1 (0.51) IDO1LDLRPCSK9HPGDS

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 IDO1 2142/4885HTR6 4721/4885HTR1A 4669/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 IDO1 2645/4885HTR6 4522/4885HTR1A 4624/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 IDO1 2645/4885HTR6 4522/4885HTR1A 4624/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB IDO1 1797/4885HTR6 4584/4885HTR1A 4254/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB IDO1 1797/4885HTR6 4584/4885HTR1A 4254/4885

“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.