SCHEMBL1581156

SCHEMBL1581156

COC(=O)C(N)Cc1cnc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ SLC7A5 Q01650 1/20 0.67
▸ HRH4 Q9H3N8 3/20 0.56
▸ HRH3 Q9Y5N1 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ BLM P54132 1/20 0.54

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
SCHEMBL262239 1.00 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3846866 1.00 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27541751 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL7321531 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL1532534 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27415903 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27489002 0.93 CYP3A4 (0.76) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27511747 0.93 CYP3A4 (0.76) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL388562 0.89 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.87 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250375-A1 CIRCULAR RNA ENCODING CHIMERIC ANTIGEN RECEPTORS TARGETING BCMA ORNA THERAPEUTICS, INC. (US) 2023-12-28 — — WO disclosed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 — — US disclosed
WO-2023056033-A1 LIPID NANOPARTICLE COMPOSITIONS FOR DELIVERING CIRCULAR POLYNUCLEOTIDES ORNA THERAPEUTICS, INC. (US) 2023-04-06 — — WO disclosed
WO-2022261490-A2 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. (US) 2022-12-15 — — WO disclosed
WO-2021226597-A2 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. (US) 2021-11-11 — — WO disclosed
WO-2021189059-A2 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
WO-2021113777-A2 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. (US) 2021-06-10 — — WO disclosed
WO-2018081480-A1 LIPID NANOPARTICLE FORMULATIONS Acuitas Therapeutics, Inc. (CA) 2018-05-03 — — WO disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 — — US disclosed
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 — — US disclosed
CN-102170785-A Benzimidazole derivatives and glycogen synthase kinase-3 beta inhibitors containing the same ONCOTHERAPY SCIENCE INC 2011-08-31 — — CN disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 — — US disclosed
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 — — US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 — — US disclosed
EP-2309855-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME Oncotherapy Science, Inc. (JP) 2011-04-20 — — EP disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 — — US disclosed
WO-2010014794-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-02-04 — — WO disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 — — US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 — — 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 (6 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-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds SPR, ABCG2, SHBG CYP3A4 1244/4885SLC7A5 154/4885HRH4 2300/4885
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE CYP3A4 4155/4885SLC7A5 4121/4885HRH4 2960/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL CYP3A4 1764/4885SLC7A5 4113/4885HRH4 1559/4885
US-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 CYP3A4 204/4885SLC7A5 1693/4885HRH4 331/4885
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 CYP3A4 1466/4885SLC7A5 3648/4885HRH4 4326/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 CYP3A4 4840/4885SLC7A5 3081/4885HRH4 4843/4885

“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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