SCHEMBL16202041

SCHEMBL16202041

CC(C)=NOc1ccn(-c2ccc(C)c(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SIGMAR1 Q99720 7/20 0.33
KCNH2 Q12809 1/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL16202039 0.79 ALDH1A1 (0.40) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL16202040 0.74 ALDH1A1 (0.36) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL15984869 0.71 HTT (0.50) ALDH1A1NPC1NOTUMCYP1A2CYP2C19
SCHEMBL44771 0.68 ALDH1A1 (0.49) ALDH1A1NPC1NOTUMCYP1A2CYP2C19
SCHEMBL16202042 0.66 MAPT (0.52) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL15980626 0.66 NOTUM (0.40) ALDH1A1NPC1NOTUMCYP1A2CYP2C19
SCHEMBL20855014 0.66 NPC1 (0.32) ALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL16364708 0.64 SIGMAR1 (0.72) SIGMAR1KCNH2
SCHEMBL44933 0.63 HTT (0.49) ALDH1A1NPC1NOTUMCYP1A2CYP2C19
SCHEMBL18868880 0.62 OXTR (0.45) KDM4EMAPTALOX15TSHR

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
WO-2014202703-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2014-12-24 WO 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 2106/4885NPC1 634/4885NOTUM 2417/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 ALDH1A1 3309/4885NPC1 753/4885NOTUM 2527/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 ALDH1A1 3309/4885NPC1 753/4885NOTUM 2527/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885NPC1 601/4885NOTUM 3419/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885NPC1 601/4885NOTUM 3419/4885

“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.