SCHEMBL552941

SCHEMBL552941

O=C(NCCc1cccc(Br)c1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
TAAR1 Q96RJ0 4/20 0.54
GLA P06280 1/20 0.54
CNR1 P21554 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48
EPHX2 P34913 1/20 0.48
USP2 O75604 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
SCHEMBL3345522 0.93 CNR1 (0.53) ALDH1A1LMNATAAR1GLACNR1
SCHEMBL17048526 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2ALOX12POLBNPC1
SCHEMBL20368746 0.83 SPR (0.53) ALDH1A1SMN1; SMN2LMNAALOX12RECQL
SCHEMBL551692 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAALOX12RECQL
SCHEMBL3392745 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAALOX12RECQL
SCHEMBL13138659 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAALOX12RECQL
SCHEMBL3225765 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL552037 0.79 GPBAR1 (0.55) ALDH1A1SMN1; SMN2LMNAALOX12RECQL
SCHEMBL11733010 0.78 ERCC1 (0.72) ALDH1A1SMN1; SMN2LMNAALOX12RECQL
SCHEMBL8097845 0.77 MTNR1A (0.56) ALDH1A1SMN1; SMN2LMNAALOX12RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 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 (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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885SMN1; SMN2 4366/4885LMNA 4258/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885SMN1; SMN2 4366/4885LMNA 4258/4885

“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.