SCHEMBL1786748

SCHEMBL1786748

O=c1[nH]ncn1-c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
ALOX5 P09917 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL21434821 0.83 HTT (0.54) HTTMEN1KMT2AMGLLALDH1A1
SCHEMBL23931446 0.79 HTT (0.65) HTTKMT2AMGLLALDH1A1PKM
SCHEMBL792758 0.78 HTT (0.50) HTTMGLLALDH1A1PKMALKBH5
SCHEMBL3518937 0.77 HTT (0.62) HTTALDH1A1PKMGSK3AGSK3B
SCHEMBL31402337 0.76 HTT (0.56) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15601923 0.76 HTT (0.56) HTTMGLLALDH1A1PKMALOX5
SCHEMBL3561122 0.76 HTT (0.56) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3549892 0.76 HTT (0.56) HTTALDH1A1PKMALOX5
SCHEMBL21385013 0.75 HTT (0.48) HTTMEN1KMT2AALDH1A1PKM
SCHEMBL30947271 0.75 HTT (0.48) HTTMEN1KMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540247-A1 MULTI-KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2025-04-23 EP disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
CN-119032093-A Multi-kinase inhibitors, compositions and methods of use 百放开曼有限公司 2024-11-26 CN disclosed
CN-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 CN disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN disclosed
WO-2023245329-A1 MULTI-KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO disclosed
WO-2023245329-A1 MULTI-KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO disclosed
WO-2023246491-A1 MULTI-KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO disclosed
CN-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 CN disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-10 US disclosed
WO-2019180644-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-09-26 WO disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO 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 (7 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HTT 2138/4885MEN1 4865/4885KMT2A 3867/4885
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 HTT 1397/4885MEN1 4783/4885KMT2A 4478/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 HTT 1506/4885MEN1 3740/4885KMT2A 2852/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 HTT 1729/4885MEN1 4375/4885KMT2A 2191/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 HTT 1506/4885MEN1 3740/4885KMT2A 2852/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 HTT 2138/4885MEN1 4865/4885KMT2A 3867/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 HTT 2138/4885MEN1 4865/4885KMT2A 3867/4885

“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.