SCHEMBL12470503

SCHEMBL12470503

O=C(Nc1ccccc1-c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
ABCG2 Q9UNQ0 1/20 0.65
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
TSHR P16473 1/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ATM Q13315 1/20 0.59
MDM4 O15151 1/20 0.59
TP53 P04637 1/20 0.59
HDAC3 O15379 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL29434803 1.00 ALDH1A1 (0.66) ALDH1A1ABCG2KMT2AMEN1TSHR
Ammonia Solution, Strong SCHEMBL29194251 0.98 ALDH1A1 (0.64) ALDH1A1ABCG2KMT2AMEN1TSHR
SCHEMBL10144027 0.91 ALDH1A1 (0.74) ALDH1A1ABCG2KMT2AMEN1TSHR
SCHEMBL29020526 0.90 MDM4 (0.67) ALDH1A1ABCG2KMT2AMEN1MAPT
Propanol SCHEMBL28052966 0.90 ALDH1A1 (0.62) ALDH1A1ABCG2KMT2AMEN1MAPT
Acrylic Acid SCHEMBL1505000 0.90 ALDH1A1 (0.57) ALDH1A1ABCG2KMT2AMEN1TSHR
SCHEMBL6067716 0.90 HDAC1 (0.66) ABCG2KMT2AMEN1MAPTHPGD
SCHEMBL6059859 0.88 KMT2A (0.64) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL28442225 0.88 HDAC1 (0.61) ALDH1A1ABCG2KMT2AMEN1TSHR
SCHEMBL10804929 0.88 ALDH1A1 (0.55) ALDH1A1ABCG2KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1155554-A Preparation and use of novel reactive and processable fluororubbers BAYER AG (DE) 1997-07-30 CN claimed
US-20260125340-A1 METHOD FOR PREPARING AMIDES FROM ESTERS BASF SE (DE) 2026-05-07 US disclosed
EP-4598900-A1 METHOD FOR PREPARING AMIDES FROM ESTERS BASF SE (DE) 2025-08-13 EP disclosed
WO-2024074641-A1 METHOD FOR PREPARING AMIDES FROM ESTERS BASF SE (DE) 2024-04-11 WO disclosed
CN-114276270-A Synthesis method of compound with amido bond 湖北文理学院 2022-04-05 CN disclosed
CN-107602620-B Novel iridium-based complexes for ECL 霍夫曼-拉罗奇有限公司 2020-08-28 CN disclosed
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2019-03-12 US disclosed
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2019-03-12 US disclosed
WO-2018194372-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF 부산대학교 산학협력단 2018-10-25 WO disclosed
CN-104718218-B Novel iridium basigamy compound for ECL 霍夫曼-拉罗奇有限公司 2017-10-24 CN disclosed
EP-2673284-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL Roche Diagnostics GmbH (DE) 2013-12-18 EP disclosed
US-20130323719-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-12-05 US disclosed
US-20130323857-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-12-05 US disclosed
CN-103370330-A New iridium-based complexes for ECL HOFFMANN LA ROCHE 2013-10-23 CN disclosed
CN-103347888-A Novel iridium-based complexes for ECL HOFFMANN LA ROCHE 2013-10-09 CN disclosed
WO-2012107420-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 WO disclosed
WO-2012107419-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 WO disclosed
WO-2012107419-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 WO disclosed
WO-2012107420-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 WO disclosed
CN-1155554-A Preparation and use of novel reactive and processable fluororubbers BAYER AG (DE) 1997-07-30 CN 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 (3 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-20260125340-A1 METHOD FOR PREPARING AMIDES FROM ESTERS CBR1, CBR3, SCO2 ALDH1A1 117/4885ABCG2 1741/4885KMT2A 1928/4885
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels HLCS, PDCD2L, LAS1L ALDH1A1 1757/4885ABCG2 3935/4885KMT2A 2954/4885
US-20130323719-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ALPL, LIG3, SOD3 ALDH1A1 495/4885ABCG2 953/4885KMT2A 4397/4885

“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.