SCHEMBL6067530

SCHEMBL6067530

CNC=Nc1ccc(C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
ADRA2A P08913 1/20 0.56
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
MPI P34949 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 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
SCHEMBL11454683 1.00 CYP3A4 (0.56) CYP3A4ADRA2AALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL11533363 0.98 CYP3A4 (0.55) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL4581102 0.86 CYP3A4 (0.58) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11856894 0.84 DHODH (0.45) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11779258 0.81 CYP2C9 (0.39) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11148348 0.81 NPC1 (0.44) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11144303 0.81 SIGMAR1 (0.45) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11144308 0.81 SIGMAR1 (0.45) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11776909 0.81 CYP2C9 (0.39) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11153211 0.81 ALDH1A1 (0.43) CYP3A4ADRA2AALDH1A1KDM4EMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778200-B Process for the preparation of amitraz 东莞市东阳光动物保健药品有限公司 2020-11-24 CN disclosed
CN-110724070-A Crystal form of amitraz and preparation method thereof 瑞普(天津)生物药业有限公司 2020-01-24 CN disclosed
US-8921408-B2 Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof MERIAL LIMITED (US) 2014-12-30 US disclosed
US-20130256170-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-10-03 US disclosed
WO-2006082213-A1 COMPOSITIONS FOR CONTROLLING PARASITES COMPRISING SYNERGIC COMBINATION OF AMITRAZ AND CHLORPYRIFOS INTERVET INTERNATIONAL B.V. (NL) 2006-08-10 WO disclosed
EP-0955331-B1 Self-water dispersible particle made of biodegradable polyester and process for the preparation thereof DAINIPPON INK & CHEMICALS (JP) 2003-09-10 EP disclosed
US-4413013-A N-(((ARYLFORMAMIDOYL)METHYLAMINO)THIO)-N-SUBSTITUTED SULFONAMIDES THE UPJOHN COMPANY (US) 1983-11-01 US disclosed
US-4186264-A Triazapentadienes as acaricides PFIZER INC. (US) 1980-01-29 US disclosed
US-4163056-A Pesticidal triazapentadienes CIBA-GEIGY CORPORATION (US) 1979-07-31 US disclosed
US-4154825-A Arylimidoyl phosphoramidates ROHM AND HAAS COMPANY (US) 1979-05-15 US disclosed
US-4134913-A MITICIDES THE UPJOHN COMPANY (US) 1979-01-16 US disclosed
US-4128652-A Triazapentadienes as acaricides PFIZER INC. (US) 1978-12-05 US disclosed
US-4066765-A Arthropodicidal formamidines THE UPJOHN COMPANY (US) 1978-01-03 US disclosed
US-3998969-A Formamidine insecticides THE UPJOHN COMPANY (US) 1976-12-21 US disclosed
US-3954997-A MITICIDES, INSECTICIDES THE UPJOHN COMPANY (US) 1976-05-04 US disclosed
US-3947591-A Pesticidal N,N\"-thio and dithio bis(substituted phenyl formamidines) THE UPJOHN COMPANY (US) 1976-03-30 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 (1 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-20130256170-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF TYR, CAT, NAT1 CYP3A4 37/4885ADRA2A 3113/4885ALDH1A1 766/4885

“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.