SCHEMBL1629578

SCHEMBL1629578

O=C(O)N1C=CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NOTUM Q6P988 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B3 P37058 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL3241412 0.86 SMN1; SMN2 (0.38) NPC1RAB9AMITFALDH1A1HPGD
SCHEMBL10841005 0.85 NPC1 (0.39) NPC1RAB9AMITFALDH1A1HPGD
SCHEMBL3266678 0.84 MEN1 (0.41) NPC1RAB9AMITFALDH1A1HPGD
SCHEMBL7240870 0.81 NPC1 (0.41) NPC1RAB9AMITFALDH1A1HPGD
SCHEMBL15456828 0.81 MYC (0.41) RAB9AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL7035188 0.81 SMN1; SMN2 (0.37) NPC1RAB9AMITFALDH1A1NOTUM
SCHEMBL27711169 0.80 P2RX4 (0.42) NPC1RAB9AMITFALDH1A1HPGD
SCHEMBL3375350 0.77 BCHE (0.44) NPC1RAB9AALDH1A1NOTUMSMN1; SMN2
SCHEMBL6110762 0.76 P2RX4 (0.46) NPC1RAB9AALDH1A1HPGDNOTUM
SCHEMBL5670700 0.76 BCHE (0.46) NOTUMMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843298-A The combination treatment of utilization method Buddhist nun ester X receptor (FXR) regulator 阿卡纳治疗学有限公司 2019-06-04 CN claimed
CN-1458840-A Pharmaceutical composition of cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2003-11-26 CN claimed
CN-119954828-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-05-09 CN disclosed
CN-116322699-B Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-02-11 CN disclosed
EP-4392425-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2024-07-03 EP disclosed
WO-2024109671-A1 CAS9 PROTEIN, VARIANTS, OR HOMOLOGUES THEREOF-SPECIFIC PROTAC DEGRADERS AND USES THEREOF GLUETACS THERAPEUTICS (SHANGHAI) CO., LTD. (CN) 2024-05-30 WO disclosed
WO-2023241627-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-12-21 WO disclosed
WO-2023198195-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS (SHANGHAI) CO., LTD. (CN) 2023-10-19 WO disclosed
WO-2023169226-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2023-09-14 WO disclosed
CN-116322699-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2023-06-23 CN disclosed
WO-2023025307-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2023-03-02 WO disclosed
CN-1625397-A Controlled release pharmaceutical dosage forms of a cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2005-06-08 CN disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 US disclosed
CN-1545421-A Pharmaceutical composition comprising a low-solubility and/or acid-sensitive drug and a neutralized acidic polymer �Ʒ� 2004-11-10 CN disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
CN-1468241-A Heterocyclic compounds as ligands of the gabaa receptor 2004-01-14 CN disclosed
CN-1458840-A Pharmaceutical composition of cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2003-11-26 CN disclosed
WO-2003014115-A1 3-SUBSTITUTED PYRROLO (2.1-A) ISOQUINOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2003-02-20 WO disclosed
WO-1993012091-A1 D- AND L-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES CONTAINING URETHANE-TYPE N-PROTECTING GROUPS AS WELL AS A PROCESS FOR PREPARING THEM AND THE CORRESPONDING RACEMATES Gyógyszerkutató Intézet Kft. (HU) 1993-06-24 WO disclosed
US-4847375-A Antibacterial 1,8-bridged 4-quinoline-3-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-07-11 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 (1 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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 NPC1 171/4885RAB9A 1287/4885MITF 3602/4885

“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.