SCHEMBL2534036

SCHEMBL2534036

O=Cc1cccc(Oc2cccc(F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.62
MAOB P27338 7/20 0.62
NFE2L2 Q16236 4/20 0.50
SRC P12931 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL6849018 0.88 SRC (0.60) MAOAMAOBSRCALDH1A1MEN1
SCHEMBL30631693 0.88 SRC (0.60) MAOAMAOBSRCALDH1A1MEN1
SCHEMBL184380 0.87 MAOA (0.62) MAOAMAOBNFE2L2SRCALDH1A1
SCHEMBL6741260 0.87 MAOA (0.49) MAOAMAOBNFE2L2ALDH1A1MEN1
SCHEMBL30584498 0.87 MAOA (0.62) MAOAMAOBNFE2L2SRCALDH1A1
SCHEMBL6852137 0.86 SRC (0.58) MAOAMAOBSRCALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL6557053 0.86 MAOA (0.60) MAOAMAOBNFE2L2SRCALDH1A1
Benzene SCHEMBL17267850 0.84 MAOA (0.58) MAOAMAOBSRCALDH1A1MEN1
SCHEMBL6856729 0.84 SRC (0.56) MAOAMAOBSRCALDH1A1MEN1
SCHEMBL11482497 0.82 MAOB (0.61) MAOAMAOBSRCALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835335-B 2, 5-diketopiperazine compound and application thereof in preparation of anti-cancer drugs 深圳华大海洋科技有限公司 2022-04-15 CN disclosed
CN-110835335-A 2, 5-diketopiperazine compound and application thereof in preparation of anti-cancer drugs 青岛海洋生物医药研究院股份有限公司 2020-02-25 CN disclosed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
US-4199595-A M-phenoxybenzyl and α-cyano-M-phenoxybenzyl esters of 2-haloalkyl (oxy-, thio-, sulfinyl-, or sulfonyl)phenylalkanoic acids AMERICAN CYANAMID COMPANY (US) 1980-04-22 US disclosed
US-4178460-A INTERMEDIATES FOR INSECTICIDES AMERICAN CYANAMID CO. (US) 1979-12-11 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 (6 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885NFE2L2 3560/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 MAOA 837/4885MAOB 412/4885NFE2L2 35/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B MAOA 75/4885MAOB 93/4885NFE2L2 2124/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885NFE2L2 3560/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885NFE2L2 3560/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAOA 75/4885MAOB 93/4885NFE2L2 2124/4885

“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.