SCHEMBL2608523

SCHEMBL2608523

O=Nc1cc(Br)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
S100A4 P26447 1/20 0.33
ERN1 O75460 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 4/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2A6 P11509 1/20 0.32
HTT P42858 2/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL18620178 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDHSP90AA1TLR9
SCHEMBL17027588 0.77 TDP1 (0.47) ALDH1A1SMN1; SMN2HPGDHSP90AA1TLR9
SCHEMBL3650552 0.76 HSP90AA1 (0.46) ALDH1A1HPGDHSP90AA1TLR9S100A4
SCHEMBL11349652 0.76 TP53 (0.48) ALDH1A1SMN1; SMN2HPGDS100A4ERN1
SCHEMBL12216540 0.74 TDP1 (0.43) ALDH1A1HPGDMAPK1TDP1MAPT
SCHEMBL8385226 0.74 ERN1 (0.48) ALDH1A1ERN1TDP1KMT2ALMNA
SCHEMBL24087760 0.73 TRPV4 (0.38) ALDH1A1MAPK1TDP1
SCHEMBL13750892 0.73 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1TDP1MAPT
SCHEMBL10091983 0.73 DGAT1 (0.39) ALDH1A1SMN1; SMN2HPGDHSP90AA1TLR9
SCHEMBL2185973 0.73 ALOX15 (0.50) ALDH1A1SMN1; SMN2HPGDERN1MAPT

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-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ALDH1A1 3735/4885SMN1; SMN2 909/4885HPGD 2211/4885

“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.