SCHEMBL13624812

SCHEMBL13624812

CSN(CCCCCBr)c1c2ccccc2nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.42
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAD52 P43351 1/20 0.38
RAB9A P51151 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL4289063 0.69 KEAP1 (0.46) CACNA2D1
SCHEMBL14519368 0.65 KDM4E (0.50) CACNA2D1KMT2APOLBNPC1SLC2A1
Acridine SCHEMBL25416084 0.65 ALDH1A1 (0.54) ALDH1A1HPGD
SCHEMBL9013918 0.64 ALDH1A1 (0.58) KMT2APOLBRAD52RAB9AMEN1
SCHEMBL22325719 0.63 ACP1 (0.54) CACNA2D1KMT2APOLBRAB9AMEN1
SCHEMBL14488838 0.63 ELANE (0.48) CACNA2D1KMT2APOLBNPC1SLC2A1
SCHEMBL14488755 0.62 KDM4E (0.50) CACNA2D1KMT2APOLBNPC1SLC2A1
SCHEMBL2082458 0.61 SIGMAR1 (0.38) NPC1RAB9A
SCHEMBL11181087 0.61 KCNH2 (0.42) KDM4E
SCHEMBL2082409 0.61 SIGMAR1 (0.38) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 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 (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-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 CACNA2D1 4295/4885KMT2A 1702/4885POLB 161/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV CACNA2D1 4220/4885KMT2A 2180/4885POLB 229/4885

“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.