SCHEMBL1750072

SCHEMBL1750072

[C]1c2ccccc2Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
CYP1A2 P05177 1/20 0.39
HTR2A P28223 6/20 0.39
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH1 P35367 2/20 0.34
HTR2C P28335 1/20 0.34
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1750074 1.00 MAOA (0.42) MAOAMAOBCYP1A2HTR2ADRD2
SCHEMBL8912020 0.82 TSHR (0.43) MAOAMAOBCYP1A2HTR2ADRD2
SCHEMBL1751341 0.82 TSHR (0.43) MAOAMAOBCYP1A2HTR2ADRD2
SCHEMBL11095966 0.82 TSHR (0.43) MAOAMAOBCYP1A2HTR2ADRD2
SCHEMBL599812 0.79 CYP1A2 (0.44) MAOAMAOBCYP1A2KDM4EALDH1A1
SCHEMBL1750029 0.78 CES1 (0.50) MAOAMAOBCYP1A2CYP3A4KDM4E
SCHEMBL2797054 0.78 HTR2A (0.38) MAOAMAOBHTR2A
SCHEMBL205284 0.73
SCHEMBL8776016 0.73 CYP2A6 (0.36) TSHRCYP3A4ALOX15HSD17B10KDM4E
SCHEMBL22081972 0.73 CYP1A2 (0.62) MAOAMAOBCYP1A2HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494080-B1 Azine-based dimeric charge transport materials SAMSUNG ELECTRONICS CO LTD (KR) 2008-04-02 EP claimed
US-7115347-B2 Azine-based dimeric charge transport materials SAMSUNG ELECTRONICS CO., LTD (CN) 2006-10-03 US claimed
EP-1494080-A1 Azine-based dimeric charge transport materials Samsung Electronics Co., Ltd. (KR) 2005-01-05 EP claimed
US-20040265717-A1 Azine-based dimeric charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2004-12-30 US claimed
US-7968539-B2 reversed chloroquines; to treat chloroquine resistant/sensitive malaria parasites; N'-(7-Chloro-quinolin-4-yl)-N-[3-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-propyl]-N-methyl-propane-1,3-diamine STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2011-06-28 US disclosed
US-20080188462-A1 Quinoline Derivatives And Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-07 US disclosed
EP-1494080-B1 Azine-based dimeric charge transport materials SAMSUNG ELECTRONICS CO LTD (KR) 2008-04-02 EP disclosed
US-7115347-B2 Azine-based dimeric charge transport materials SAMSUNG ELECTRONICS CO., LTD (CN) 2006-10-03 US disclosed
EP-1494080-A1 Azine-based dimeric charge transport materials Samsung Electronics Co., Ltd. (KR) 2005-01-05 EP disclosed
US-20040265717-A1 Azine-based dimeric charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2004-12-30 US disclosed
WO-1989003212-A1 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-04-20 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 (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-20080188462-A1 Quinoline Derivatives And Uses Thereof RECQL, QARS1, QTRT1 MAOA 2917/4885MAOB 2445/4885CYP1A2 446/4885
US-20040265717-A1 Azine-based dimeric charge transport materials SLC1A2, SLC35E1, SLC43A1 MAOA 743/4885MAOB 541/4885CYP1A2 2087/4885

“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.