SCHEMBL398852

SCHEMBL398852

Nc1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2A6 P11509 3/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B1 P14061 1/20 0.44

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
SCHEMBL16600441 0.86 APP (0.59) APPCA2CA1CA9CYP2A6
SCHEMBL19133572 0.86 APP (0.57) APPCA2CA1CA9CYP2A6
SCHEMBL12854022 0.84 APP (0.55) APPCA2CA1CA9CYP2A6
SCHEMBL27989389 0.81 APP (0.57) APPCA2CA1CA9CYP2A6
SCHEMBL18872132 0.81 ESR1 (0.43) APPALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL21052187 0.81 APP (0.50) APPALDH1A1CA2CA1CA9
SCHEMBL21870995 0.81 APP (0.50) APPALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL23681856 0.80 APP (0.57) APPALDH1A1KDM4EMEN1GAA
SCHEMBL5456273 0.80 IKBKB (0.50) APPGAACA2CA1CA9
SCHEMBL845603 0.79 APP (0.63) APPCA2CA1CA9CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116769153-A Polyethylene glycol modified iridium coordination compound and preparation and application thereof 浙江大学 2023-09-19 CN disclosed
EP-3162806-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LT MATERIALS CO LTD (KR) 2023-08-23 EP disclosed
US-20230051087-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-02-16 US disclosed
US-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-17 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
WO-2020153758-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 WO disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-10644244-B2 Heterocyclic compound and organic light emitting device using same LT MATERIALS CO., LTD. (KR) 2020-05-05 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
EP-1311487-B1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS MOLECULAR PROBES INC (US) 2008-11-26 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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 (10 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 APP 1553/4885ALDH1A1 2165/4885L3MBTL1 3552/4885
US-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE ALDH1A2, OXER1, AOX1 APP 3231/4885ALDH1A1 10/4885L3MBTL1 2955/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 APP 1553/4885ALDH1A1 2165/4885L3MBTL1 3552/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 APP 1553/4885ALDH1A1 2165/4885L3MBTL1 3552/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 APP 1553/4885ALDH1A1 2165/4885L3MBTL1 3552/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 APP 1553/4885ALDH1A1 2165/4885L3MBTL1 3552/4885
US-10644244-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA APP 512/4885ALDH1A1 1221/4885L3MBTL1 818/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 APP 2594/4885ALDH1A1 2651/4885L3MBTL1 3929/4885
US-20230051087-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME BMI1, RIF1, EMG1 APP 2722/4885ALDH1A1 99/4885L3MBTL1 128/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 APP 3471/4885ALDH1A1 2221/4885L3MBTL1 3693/4885

“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.