SCHEMBL16202004

SCHEMBL16202004

CCOc1ccc(-n2cnc(C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
MAPT P10636 3/20 0.48
NOTUM Q6P988 1/20 0.48
CACNA2D1 P54289 3/20 0.47
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL16202001 0.82 CYP1A2 (0.48) MAPTKMT2ARAB9ALMNACYP1A2
SCHEMBL22897834 0.81 MAPT (0.47) NQO1MAPTNOTUMCACNA2D1NPC1
SCHEMBL16202029 0.79 MEN1 (0.44) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL14688330 0.78 NOTUM (0.47) NQO1MAPTNOTUMCACNA2D1NPC1
SCHEMBL13183810 0.77 ALDH1A1 (0.45) MAPTNOTUMMEN1KMT2ALMNA
SCHEMBL14617482 0.77 POLB (0.46) MAPTCACNA2D1ALDH1A1GAASMN1; SMN2
SCHEMBL16201990 0.76 PKM (0.54) NQO1MAPTNOTUMCACNA2D1NPC1
SCHEMBL14617483 0.74 RXRA (0.38) MAPTLMNACYP1A2CYP2D6CYP2C9
SCHEMBL15299233 0.74 MAPK10 (0.42) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL719952 0.74 MAPK10 (0.42) MAPTNPC1MEN1KMT2ARAB9A

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 NQO1 1061/4885MAPT 1798/4885NOTUM 2417/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NQO1 1618/4885MAPT 1392/4885NOTUM 2527/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NQO1 1618/4885MAPT 1392/4885NOTUM 2527/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NQO1 130/4885MAPT 2644/4885NOTUM 3419/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NQO1 130/4885MAPT 2644/4885NOTUM 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.