SCHEMBL5609299

SCHEMBL5609299

Cl[Cr]Cl.c1ccc2[nH]c(CN(Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.75
POLB P06746 3/20 0.56
DDAH1 O94760 1/20 0.56
GAA P10253 1/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL370724 0.93 BCHE (0.86) BCHEPOLBDDAH1GAANPC1
SCHEMBL29550341 0.93 BCHE (0.86) BCHEPOLBDDAH1GAANPC1
Magnesium SCHEMBL30119882 0.91 BCHE (0.83) BCHEPOLBDDAH1GAANPC1
SCHEMBL8201381 0.86 BCHE (1.00) BCHEPOLBDDAH1GAANPC1
SCHEMBL707879 0.85 BCHE (0.73) BCHEPOLBDDAH1GAANPC1
SCHEMBL17200183 0.83 BCHE (0.65) BCHEPOLBDDAH1GAANPC1
SCHEMBL20677816 0.83 BCHE (0.87) BCHEPOLBDDAH1GAANPC1
SCHEMBL20677807 0.83 BCHE (0.87) BCHEPOLBDDAH1GAANPC1
SCHEMBL10144030 0.83 BCHE (0.75) BCHEPOLBDDAH1GAANPC1
Hydrochloric Acid SCHEMBL710645 0.82 BCHE (0.69) BCHEPOLBDDAH1GAANPC1

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-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed
US-20060094588-A1 Polymerisation and oligomerisation catalysts BARCLAYS BANK PLC (GB) 2006-05-04 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 (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-20060094588-A1 Polymerisation and oligomerisation catalysts CCNA1, AP2M1, AP2A1 BCHE 4523/4885POLB 1252/4885DDAH1 264/4885

“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.