SCHEMBL4539472

SCHEMBL4539472

O=c1c2ccccc2sc2c(OCCCN(CCO)CCO)ccc(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.42
MAOB P27338 17/20 0.42
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
APEX1 P27695 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL30549323 1.00 MAOA (0.42) MAOAMAOBABCB11LMNATP53
SCHEMBL13066138 0.88 MAPT (0.40) MAOAMAOBABCB11LMNATP53
SCHEMBL4542129 0.84 MAPT (0.41) MAOAMAOBLMNACYP1A2POLB
SCHEMBL4562316 0.83 MAOA (0.35) MAOAMAOBABCB11LMNATP53
SCHEMBL4537591 0.83 POLB (0.38) MAOAMAOBABCB11LMNATP53
SCHEMBL4538122 0.82 NPC1 (0.40) MAOAMAOBCYP1A2CYP3A4MAPT
SCHEMBL28557156 0.82 MAPT (0.42) MAOAMAOBTP53CYP1A2CHRM2
Iodide SCHEMBL16632392 0.81 MCL1 (0.35) MAOAMAOBABCB11LMNATP53
Bromide SCHEMBL14722531 0.81 MCL1 (0.35) MAOAMAOBABCB11LMNATP53
SCHEMBL16644016 0.81 CYP1A2 (0.37) MAOAMAOBABCB11LMNATP53

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045576-B2 Composition comprising a polymer and a switch initiator COLOPLAST A/S (DK) 2021-06-29 US claimed
CN-107106724-B Composition comprising a polymer and a transition initiator 科洛普拉斯特公司 2020-10-13 CN claimed
EP-3369751-A1 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2018-09-05 EP claimed
US-20170239384-A1 COMPOSITION COMPRISING A POLYMER AND A SWITCH INITIATOR COLOPLAST A/S (DK) 2017-08-24 US claimed
EP-3203945-A1 COMPOSITION COMPRISING A POLYMER AND A SWITCH INITIATOR Coloplast A/S (DK) 2017-08-16 EP claimed
US-9399633-B2 Photoinitiators COLOPLAST A/S (DK) 2016-07-26 US claimed
US-9371308-B2 Polymeric photoinitiators COLOPLAST A/S (DK) 2016-06-21 US claimed
WO-2016055075-A1 COMPOSITION COMPRISING A POLYMER AND A SWITCH INITIATOR COLOPLAST A/S (DK) 2016-04-14 WO claimed
US-20160060243-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2016-03-03 US claimed
EP-2638078-B1 NEW ROUTES TO POLYACRYLATES COLOPLAST AS (DK) 2015-01-07 EP claimed
EP-2638077-B1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST AS (DK) 2015-01-07 EP claimed
US-20130296577-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2013-11-07 US claimed
US-20130296454-A1 ROUTES TO POLYACRYLATES COLOPLAST A/S (DK) 2013-11-07 US claimed
US-20130289155-A1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST A/S (DK) 2013-10-31 US claimed
EP-2638078-A1 NEW ROUTES TO POLYACRYLATES Coloplast A/S (DK) 2013-09-18 EP claimed
EP-2638076-A2 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP claimed
EP-2638077-A1 NOVEL POLYMERIC PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP claimed
WO-2012062333-A1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO claimed
WO-2012062334-A1 NEW ROUTES TO POLYACRYLATES COLOPLAST A/S (DK) 2012-05-18 WO claimed
WO-2012062332-A2 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO claimed

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-20130296577-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PARG MAOA 169/4885MAOB 400/4885ABCB11 4793/4885
US-20160060243-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PPOX MAOA 108/4885MAOB 349/4885ABCB11 4728/4885

“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.