SCHEMBL5447287

SCHEMBL5447287

Cc1cc(N)c2ncccc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.65
CASP6 P55212 1/20 0.65
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
APAF1 O14727 1/20 0.53
TDP2 O95551 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
G6PD P11413 1/20 0.49
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
HSP90AA1 P07900 4/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AB1 P08238 2/20 0.45
PRMT5 O14744 1/20 0.44

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
SCHEMBL31179165 0.86 HSP90AA1 (0.53) NSD2CASP6MEN1KMT2AAPAF1
SCHEMBL5447339 0.82 HSP90AA1 (0.59) NSD2CASP6MEN1KMT2AAPAF1
SCHEMBL31135899 0.79 CCR1 (0.46) NSD2CASP6MEN1KMT2AALDH1A1
SCHEMBL16110206 0.79 CCR1 (0.46) NSD2CASP6MEN1KMT2AALDH1A1
SCHEMBL11973614 0.79 G6PD (0.65) NSD2CASP6MEN1KMT2AAPAF1
SCHEMBL16111057 0.79 CCR1 (0.46) NSD2CASP6MEN1KMT2AAPAF1
SCHEMBL2274037 0.79 NSD2 (1.00) NSD2CASP6MEN1KMT2AAPAF1
SCHEMBL8103326 0.75 HSP90AA1 (0.59) NSD2CASP6MEN1KMT2AAPAF1
SCHEMBL15322937 0.75 LMNA (0.50) NSD2CASP6MEN1KMT2AAPAF1
SCHEMBL29800867 0.74 PSMD14 (0.61) NSD2CASP6MEN1KMT2AAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation MKI67, VEGFA, KDR NSD2 3336/4885CASP6 434/4885MEN1 3575/4885

“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.