SCHEMBL4581102

SCHEMBL4581102

Cc1ccc(N=CNC=Nc2ccc(C)cc2C)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
ADRA2A P08913 1/20 0.58
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 4/20 0.46
GAA P10253 4/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
MPI P34949 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL8746896 0.89 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL8746897 0.89 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11454683 0.86 CYP3A4 (0.56) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL6067530 0.86 CYP3A4 (0.56) CYP3A4ADRA2AALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL11533363 0.84 CYP3A4 (0.55) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL3678614 0.81 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11861746 0.81 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL3678612 0.81 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11864864 0.81 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1LMNAKDM4E
SCHEMBL11857218 0.81 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1LMNAKDM4E

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
JP-57169407-A None JP disclosed
US-9662309-B2 Anti-demodicosis agent BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-30 US disclosed
US-20080039519-A1 Anti-Demodicosis Agent BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
EP-1811990-A1 ANTI-DEMODICOSIS AGENT Bayer HealthCare AG (DE) 2007-08-01 EP disclosed
WO-2006050816-A1 ANTI-DEMODICOSIS AGENT BAYER HEALTHCARE AG (DE) 2006-05-18 WO disclosed
JP-S57169407-A INSECTICIDAL AND MITICIDAL COMPOSITION NIPPON NOHYAKU CO LTD 1982-10-19 JP 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-20080039519-A1 Anti-Demodicosis Agent ACHE, DDT, CYP51A1 CYP3A4 2514/4885ADRA2A 2003/4885ALDH1A1 1982/4885

“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.