SCHEMBL3889931

SCHEMBL3889931

O=C(O)c1ccc(SCc2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
MAOA P21397 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HSP90AA1 P07900 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2705369 0.84 CA12 (0.57) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL3761131 0.84 CA12 (0.57) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL509527 0.84 HPGD (0.61) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL3888099 0.84 HPGD (0.61) MAOBNPC1RAB9AALDH1A1MAPT
SCHEMBL4551075 0.83 MEN1 (0.64) MAOBNPC1RAB9AALDH1A1MAPT
SCHEMBL11187836 0.79 GSK3B (0.58) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL4016952 0.79 POLB (0.57) ALDH1A1LMNAHPGDPOLBSMN1; SMN2
SCHEMBL8458039 0.79 NR1H4 (0.57) RXRARXRBNPC1RAB9AALDH1A1
SCHEMBL2707629 0.79 FFAR1 (0.68) MAOBRXRARXRBNPC1RAB9A
SCHEMBL9124046 0.78 MAOB (0.61) MAOBNPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 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-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS TST, ARSA, STS MAOB 492/4885RXRA 2955/4885RXRB 2649/4885

“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.