SCHEMBL16201993

SCHEMBL16201993

Cc1ccn(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
EPHX2 P34913 1/20 0.50
KCNH2 Q12809 1/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL26028864 0.85 MAPT (0.47) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL14412226 0.82 RAB9A (0.59) NOTUMALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL13221151 0.81 NOTUM (0.54) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL14495367 0.81 EPHX2 (0.57) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL45043 0.81 NOTUM (0.56) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10226426 0.80 NOTUM (0.52) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL18003702 0.80 ALDH1A1 (0.55) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5007470 0.80 HTT (0.51) NOTUMALDH1A1KCNH2MAPTNPC1
SCHEMBL15935029 0.79 CYP11B2 (0.42) NOTUMALDH1A1CYP2C9MAPTNPC1
Hydrochloric Acid SCHEMBL1082574 0.79 NOTUM (0.55) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
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 (6 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS NOTUM 2/4885ALDH1A1 201/4885CYP1A2 26/4885
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 NOTUM 2417/4885ALDH1A1 2106/4885CYP1A2 2785/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NOTUM 2527/4885ALDH1A1 3309/4885CYP1A2 4047/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NOTUM 2527/4885ALDH1A1 3309/4885CYP1A2 4047/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885ALDH1A1 2278/4885CYP1A2 335/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885ALDH1A1 2278/4885CYP1A2 335/4885

“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.