SCHEMBL902312

SCHEMBL902312

O=c1c2ccccc2[nH]c2cccc(Br)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 3/20 0.61
GLA P06280 2/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ABCG2 Q9UNQ0 3/20 0.58
CCNE2 O96020 2/20 0.55
CDK4 P11802 2/20 0.55
CCND1 P24385 2/20 0.55
CCNE1 P24864 2/20 0.55
CDK2 P24941 2/20 0.55
CAMK2B Q13554 2/20 0.55
CAMK2G Q13555 2/20 0.55
CAMK2D Q13557 2/20 0.55
CAMK2A Q9UQM7 2/20 0.55
CCNB2 O95067 1/20 0.55

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
SCHEMBL420335 0.84 IMPDH2 (0.59) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL29724222 0.84 IMPDH2 (0.59) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL31259489 0.82 IMPDH2 (0.57) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL18789222 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL10345038 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL27097802 0.79 CDK4 (0.56) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL25246575 0.78 POLB (0.64) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL4219929 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL11032998 0.78 ABCG2 (0.63) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL9348524 0.78 IMPDH2 (0.72) ALDH1A1KDM4EGAAGLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310411-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2013-11-21 US disclosed
EP-2621929-A1 NOVEL ACRIDINE DERIVATIVES Pharminox Limited (GB) 2013-08-07 EP disclosed
WO-2012042265-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2012-04-05 WO disclosed
EP-1330456-B9 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2012-01-25 EP disclosed
EP-1330456-B1 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2011-06-15 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-20130310411-A1 NOVEL ACRIDINE DERIVATIVES TERT, NAT10, POT1 ALDH1A1 41/4885KDM4E 2371/4885GAA 153/4885

“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.