SCHEMBL6259103

SCHEMBL6259103

BrCc1ccc2ccccc2c1.[Ar]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
CYP1A2 P05177 2/20 0.58
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
PYCR1 P32322 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
PTPN1 P18031 1/20 0.44
BCHE P06276 1/20 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
SCHEMBL29707927 0.98 CYP2A6 (0.60) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL29349685 0.98 CYP2A6 (0.60) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL44621 0.98 CYP2A6 (0.60) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL21644744 0.95 CYP2A6 (0.58) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL11028429 0.95 CYP2A6 (0.58) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL5681757 0.91 CYP2A6 (0.52) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL27686121 0.91 CYP2A6 (0.52) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL14077417 0.89 CYP1A2 (0.52) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL1721014 0.87 CYP1A2 (0.44) CYP2A6CYP1A2HTR2AHTR2CHTR2B
SCHEMBL29707612 0.87 CYP1A2 (0.44) CYP2A6CYP1A2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390368-B1 DISUBSTITUTED 7,9-GUANINIUM HALIDES AS TELOMERASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-10-26 EP disclosed
US-20050037990-A1 Disubstituted 7,9-guanines halides as telomerase inhibitors PHARMACIA ITALIA (IT) 2005-02-17 US disclosed
US-20040138212-A1 Disubstituted 1,7-guanines PHARMACIA ITALIA, S.P.A. (IT) 2004-07-15 US disclosed
EP-1390368-A1 DISUBSTITUTED 7,9-GUANINIUM HALIDES AS TELOMERASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-02-25 EP disclosed
EP-1383766-A1 DISUBSTITUTED 1,7-GUANINES Pharmacia Italia S.p.A. (IT) 2004-01-28 EP disclosed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US disclosed
WO-2002090358-A1 DISUBSTITUTED 7,9-GUANINIUM HALIDES AS TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 WO disclosed
WO-2002090357-A1 DISUBSTITUTED 1,7-GUANINES PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 WO disclosed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 WO 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 (3 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-20040138212-A1 Disubstituted 1,7-guanines GDA, UNG, TYMS CYP2A6 3623/4885CYP1A2 3938/4885HTR2A 4087/4885
US-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 CYP2A6 4659/4885CYP1A2 4704/4885HTR2A 4672/4885
US-20050037990-A1 Disubstituted 7,9-guanines halides as telomerase inhibitors TERT, POT1, RNMT CYP2A6 3875/4885CYP1A2 4266/4885HTR2A 4242/4885

“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.