SCHEMBL16202049

SCHEMBL16202049

COC(=O)COc1cc(C)ncn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
HMGCR P04035 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL21241312 0.83 DYRK1A (0.39) POLBKDM4EKMT2ALMNAALDH1A1
SCHEMBL15516629 0.78 POLB (0.53) POLBKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL9189087 0.75 L3MBTL1 (0.37) KDM4EKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL30307682 0.74 HSP90AB1 (0.42) KDM4EKMT2ALMNAALDH1A1HSD17B10
SCHEMBL18659000 0.74 HSP90AB1 (0.42) KDM4EKMT2ALMNAALDH1A1HSD17B10
SCHEMBL15517083 0.71 POLB (0.47) POLBKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL17755554 0.71 SLC6A2 (0.41) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL11893586 0.71 SMN1; SMN2 (0.40) POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL6745452 0.71 SMN1; SMN2 (0.40) POLBKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL22952872 0.71 SMN1; SMN2 (0.43) POLBKDM4EKMT2ALMNASMN1; SMN2

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 POLB 4052/4885KDM4E 4284/4885KMT2A 3783/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 POLB 4251/4885KDM4E 3917/4885KMT2A 3043/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 POLB 4251/4885KDM4E 3917/4885KMT2A 3043/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB POLB 198/4885KDM4E 3206/4885KMT2A 3197/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB POLB 198/4885KDM4E 3206/4885KMT2A 3197/4885

“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.