SCHEMBL1857368

SCHEMBL1857368

BrCCN1Cc2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR3C1 P04150 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL9001954 0.79 KDM4E (0.64) KDM4EALOX15TSHRSIRT1ALDH1A1
SCHEMBL5449154 0.78 ALDH1A1 (0.50) CES1KDM4EALDH1A1KMT2AMEN1
SCHEMBL18176034 0.75 NR3C1 (0.58) CES1KDM4EALOX15TSHRSIRT1
SCHEMBL17004019 0.73 SIRT1 (0.42) KDM4EALOX15TSHRSIRT1ADRA1D
SCHEMBL3800178 0.71 KMT2A (0.42) KDM4EADRA1DADRA1AADRA1BALDH1A1
SCHEMBL11079467 0.70 DRD2 (0.48) KDM4EALOX15TSHRSIRT1ALDH1A1
SCHEMBL29612232 0.70 ALDH1A1 (0.78) KDM4EALOX15TSHRALDH1A1KMT2A
SCHEMBL7213519 0.70 ALDH1A1 (0.78) KDM4EALOX15TSHRALDH1A1KMT2A
SCHEMBL18176030 0.70 HTR7 (0.46) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL17108088 0.70 P2RX7 (0.47) SIRT1ALDH1A1KMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947703-B2 Phenanthridinium derivatives as DNA binding agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2011-05-24 US disclosed
US-7947703-B2 Phenanthridinium derivatives as DNA binding agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2011-05-24 US disclosed
US-7947703-B2 Phenanthridinium derivatives as DNA binding agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2011-05-24 US disclosed
US-20070249652-A1 Phenanthridinium Derivatives as Dna Binding Agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2007-10-25 US disclosed
US-20070249652-A1 Phenanthridinium Derivatives as Dna Binding Agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2007-10-25 US disclosed
US-20070249652-A1 Phenanthridinium Derivatives as Dna Binding Agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2007-10-25 US disclosed
EP-1692130-B1 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS UNIV GLASGOW (GB) 2007-08-08 EP disclosed
EP-1692130-B1 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS UNIV GLASGOW (GB) 2007-08-08 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 (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-20070249652-A1 Phenanthridinium Derivatives as Dna Binding Agents DNA2, DDB1, TOP2B BCHE 3435/4885CES1 4733/4885KDM4E 2276/4885

“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.