SCHEMBL1960963

SCHEMBL1960963

O=C(O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 4/20 0.78
▸ KDM4E B2RXH2 3/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ NPSR1 Q6W5P4 2/20 0.78
▸ CYP2D6 P10635 2/20 0.78
▸ CYP1A2 P05177 1/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ MAPT P10636 1/20 0.78
▸ IDO1 P14902 1/20 0.78
▸ HPGD P15428 1/20 0.78
▸ BLM P54132 1/20 0.78
▸ NOTUM Q6P988 1/20 0.78
▸ LMNA P02545 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ MEN1 O00255 1/20 0.68
▸ HTR2C P28335 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ TRPV1 Q8NER1 6/20 0.67
▸ PTGS1 P23219 2/20 0.67
▸ PTGS2 P35354 2/20 0.67

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
Acetylserotonin SCHEMBL422165 0.87 SPR (1.00) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL13645692 0.87 SPR (0.76) SPRKDM4EALDH1A1NPSR1CYP2D6
Acetylserotonin SCHEMBL30295379 0.87 SPR (1.00) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL29679229 0.87 SPR (0.76) SPRKDM4EALDH1A1NPSR1CYP2D6
Acetylserotonin SCHEMBL29375184 0.87 SPR (1.00) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL25137286 0.86 TRPV1 (0.76) SPRKDM4EALDH1A1NPSR1CYP2D6
Acetylserotonin SCHEMBL31488730 0.86 SPR (0.97) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL2271234 0.86 SPR (0.74) SPRKDM4EALDH1A1NPSR1CYP2D6
Acetylserotonin SCHEMBL29669245 0.86 SPR (0.97) SPRKDM4EALDH1A1NPSR1CYP2D6
Bufobutanoic Acid SCHEMBL22804772 0.85 TRPV1 (0.71) SPRKDM4EALDH1A1NPSR1CYP2D6

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
CN-117049994-A Preparation method of 5-methoxy tryptamine 河北维达康生物科技有限公司 2023-11-14 — — CN disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 — — US disclosed
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 — — WO disclosed
US-20190345143-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2019-11-14 — — US disclosed
EP-3555071-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 — — EP disclosed
WO-2018107201-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2018-06-21 — — WO disclosed
CN-106008466-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES 艾伯维公司 2016-10-12 — — CN disclosed
CN-102307622-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2016-08-17 — — CN disclosed
CN-103097352-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-05-08 — — CN disclosed
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 — — EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 — — 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-20190345143-A1 HEPARANASE INHIBITORS AND USE THEREOF HPSE, HEXD, ENGASE SPR 418/4885KDM4E 2390/4885ALDH1A1 1394/4885
US-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE SPR 418/4885KDM4E 2390/4885ALDH1A1 1394/4885

“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.

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