SCHEMBL3714186

SCHEMBL3714186

O=C=Nc1cccc2cc3ccccc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
ALDH1A1 P00352 9/20 0.44
CYP1A2 P05177 5/20 0.44
HSD17B10 Q99714 5/20 0.44
HPGD P15428 5/20 0.44
MAOA P21397 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
CCR2 P41597 1/20 0.44
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL9229488 0.94 CYP3A4 (0.54) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL1169526 0.86 CYP3A4 (0.43) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL6858063 0.82 CYP1A2 (0.43) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
Alpha-Naphthylisocyanate SCHEMBL29400034 0.82 CYP1A2 (0.64) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
Alpha-Naphthylisocyanate SCHEMBL374 0.82 CYP1A2 (0.64) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL3166446 0.81 ALDH1A1 (0.69) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL48435 0.80 ALDH1A1 (0.36) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
Alpha-Naphthylisocyanate SCHEMBL3333508 0.80 CYP1A2 (0.62) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL48303 0.79 CYP3A4 (0.45) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL661077 0.79 CYP3A4 (0.48) CYP3A4ALDH1A1CYP1A2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010112946-A1 ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING RUDJER BOSKOVIC INSTITUTE (HR) 2010-10-07 WO claimed
US-10800747-B2 Macrocyclic compounds ZIYLO LTD (GB) 2020-10-13 US disclosed
US-9760006-B2 Silicon-containing resist underlayer film forming composition having urea group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-12 US disclosed
CN-101910949-B Composition for forming resist underlayer film containing silicon and having urea group NISSAN CHEMICAL IND LTD 2013-07-24 CN disclosed
CN-101910949-A Composition for forming resist underlayer film containing silicon and having urea group NISSAN CHEMICAL IND LTD 2010-12-08 CN disclosed
US-20100291487-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM FORMING COMPOSITION HAVING UREA GROUP NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-11-18 US disclosed
WO-2010112946-A1 ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING RUDJER BOSKOVIC INSTITUTE (HR) 2010-10-07 WO disclosed
US-20100152434-A1 Protein Kinase-binding Nucleosides and Associated Methods BRIGHAM YOUNG UNIVERSITY 2010-06-17 US disclosed
US-20100152434-A1 Protein Kinase-binding Nucleosides and Associated Methods BRIGHAM YOUNG UNIVERSITY 2010-06-17 US disclosed
WO-2008151024-A1 PROTEIN KINASE-BINDING NUCLEOSIDES AND ASSOCIATED METHODS BRIGHAM YOUNG UNIVERSITY (US) 2008-12-11 WO disclosed
EP-0062611-B1 PHOTOPOLYMERISATION PROCESS CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
US-4413052-A Photopolymerization process employing compounds containing acryloyl group and anthryl group CIBA-GEIGY CORPORATION (US) 1983-11-01 US disclosed
EP-0062611-A2 Photopolymerisation process CIBA-GEIGY AG (CH) 1982-10-13 EP 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 (2 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-10800747-B2 Macrocyclic compounds SLC2A4, GALE, MPI CYP3A4 605/4885ALDH1A1 2107/4885CYP1A2 2645/4885
US-20100152434-A1 Protein Kinase-binding Nucleosides and Associated Methods ADK, DCK, NME2 CYP3A4 4777/4885ALDH1A1 4265/4885CYP1A2 4852/4885

“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.