SCHEMBL1244075

SCHEMBL1244075

Brc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 1/20 0.73
SIGMAR1 Q99720 2/20 0.58
HRH3 Q9Y5N1 1/20 0.58
HPGD P15428 2/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
LMNA P02545 2/20 0.57
GPR183 P32249 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 1/20 0.57
TNIK Q9UKE5 1/20 0.56
IGF1R P08069 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL31198934 0.91 SIGMAR1 (0.75) ALDH1A1KDM4ESIGMAR1HPGDDUSP3
SCHEMBL1239274 0.91 HRH3 (0.74) ALDH1A1KDM4EHRH3POLBTNIK
SCHEMBL1241202 0.91 ALDH1A1 (0.68) ALDH1A1KDM4EHRH3TNIKCYP2D6
SCHEMBL5257237 0.89 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDDUSP3PTPN5
SCHEMBL578497 0.89 LMNA (0.67) ALDH1A1KDM4EHPGDLMNAPOLB
SCHEMBL10502907 0.89 ALDH1A1 (0.61) ALDH1A1KDM4EHRH3HPGDDUSP3
SCHEMBL1241906 0.89 HRH3 (0.78) ALDH1A1KDM4EHRH3POLBTNIK
Hydrochloric Acid SCHEMBL28582354 0.89 HRH3 (0.71) ALDH1A1KDM4EHRH3POLBTNIK
Hydrochloric Acid SCHEMBL10508296 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EHRH3HPGDDUSP3
SCHEMBL10598914 0.88 ALDH1A1 (0.59) ALDH1A1KDM4ESIGMAR1HRH3HPGD

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-8241852-B2 Unsymmetrical cyanine dimer compounds and their application Life Technologies Corporation (US) 2012-08-14 US disclosed
US-8242251-B2 Unsymmetrical cyanine dimer compounds and their application Life Technologies Corporation (US) 2012-08-14 US disclosed
US-20110143337-A1 UNSYMMETRICAL CYANINE DIMER COMPOUNDS AND THEIR APPLICATION Life Technologies Corporation (US) 2011-06-16 US disclosed
US-20110124085-A1 UNSYMMETRICAL CYANINE DIMER COMPOUNDS AND THEIR APPLICATION Life Technologies Corporation (US) 2011-05-26 US disclosed
US-7888136-B2 Comprises benzazolium, pyridinium, or quinolinium connected by methine bridge; reporter molecules for detection of RNA in presence of DNA; solid phase synthesis; kits Life Technologies Corporation (US) 2011-02-15 US disclosed
US-20080199875-A1 UNSYMMETRICAL CYANINE DIMER COMPOUNDS AND THEIR APPLICATION INVITROGEN CORPORATION (US) 2008-08-21 US disclosed
US-20050074796-A1 Unsymmetrical cyanine dimer compounds and their application MOLECULAR PROBES, INC. 2005-04-07 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 (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-20080199875-A1 UNSYMMETRICAL CYANINE DIMER COMPOUNDS AND THEIR APPLICATION NSUN2, NSUN3, TRDMT1 ALDH1A1 3546/4885KDM4E 943/4885SIGMAR1 354/4885
US-20110124085-A1 UNSYMMETRICAL CYANINE DIMER COMPOUNDS AND THEIR APPLICATION NSUN2, NSUN3, TRDMT1 ALDH1A1 3546/4885KDM4E 943/4885SIGMAR1 354/4885
US-20050074796-A1 Unsymmetrical cyanine dimer compounds and their application NSUN2, NSUN3, TRDMT1 ALDH1A1 3546/4885KDM4E 943/4885SIGMAR1 354/4885

“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.