SCHEMBL1331027

SCHEMBL1331027

C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.55
CYP3A4 P08684 2/20 0.50
SLC7A5 Q01650 1/20 0.50
POLB P06746 3/20 0.49
ALPL P05186 1/20 0.49
ALPG P10696 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HRH4 Q9H3N8 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
NFKB1 P19838 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
THPO P40225 1/20 0.47
CPB2 Q96IY4 1/20 0.47
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
GABRA1 P14867 1/20 0.45

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
SCHEMBL26315497 1.00 SLC22A4 (0.55) SLC22A4CYP3A4SLC7A5POLBALPL
SCHEMBL17619795 0.86 CYP3A4 (0.59) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL17308657 0.86 CYP3A4 (0.59) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL26315500 0.82 CYP3A4 (0.48) CYP3A4SLC7A5ALDH1A1HRH4HRH3
Histidine SCHEMBL30039286 0.74 CYP3A4 (0.71) CYP3A4SLC7A5ALDH1A1HRH4HRH3
Histidine SCHEMBL30535770 0.74 CYP3A4 (0.71) CYP3A4SLC7A5ALDH1A1HRH4HRH3
Histidine SCHEMBL26659431 0.74 CYP3A4 (0.71) CYP3A4SLC7A5ALDH1A1HRH4HRH3
Histidine SCHEMBL28403793 0.74 CYP3A4 (0.71) CYP3A4SLC7A5ALDH1A1HRH4HRH3
Histidine SCHEMBL29409456 0.74 CYP3A4 (0.71) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL2218757 0.73 SLC22A4 (0.52) SLC22A4POLBALPLALPGGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102299-A1 REACTION-INDUCED HIERARCHICAL FRACTURING FOR THE RECOVERY OF HYDROGEN, ENERGY, AND MINERALS FROM GEOLOGICAL ENVIRONMENTS GEOREDOX, INC. (US) 2026-05-15 WO claimed
US-20260132994-A1 METHODS FOR ENERGY STORAGE AND RELEASE OMC Hydrogen, Inc. (US) 2026-05-14 US claimed
US-20260118289-A1 SYSTEMS AND METHODS FOR EVALUATING HYDROGEN GENERATION POTENTIAL FROM ROCKS FOR NATURAL HYDROGEN EXPLORATION KOLOMA INC (US) 2026-04-30 US claimed
US-20260110006-A1 HISTIDINE TRANSMETHYLASE MUTANT AND USE THEREOF TIANJIN UNIV OF SCIENCE AND TECHNOLOGY (CN) 2026-04-23 US claimed
US-20250353741-A1 HYDROGEN PRODUCTION BY STEAM REFORMING OF DODECANE USING NICKEL-RED MUD CATALYST KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2025-11-20 US claimed
US-20250327105-A1 SCALABLE, ECONOMICAL SYNTHESIS OF SELENONEINE AND ITS ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-10-23 US claimed
US-20250197902-A1 CHEMOENZYMATIC SYNTHESIS OF SELENONEINE AND ITS ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-06-19 US claimed
WO-2025090082-A1 SCALABLE, ECONOMICAL SYNTHESIS OF SELENONEINE AND ITS ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-05-01 WO claimed
CN-119793479-A Advanced oxidation process catalyst for low-cost treatment of industrial organic wastewater and preparation method and application thereof 江苏中科云璟环境科技有限公司 2025-04-11 CN claimed
US-20250115557-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS UNIVERSITé LAVAL (CA) 2025-04-10 US claimed
US-20150225755-A1 Ergothioneine Production Through Metabolic Engineering ERGO HEALTH LLC 2015-08-13 US claimed
EP-2371220-B1 Stabilized bio-available soluble silicate solution TAMINCO (BE) 2014-12-03 EP claimed
WO-2014100752-A1 ERGOTHIONEINE PRODUCTION THROUGH METABOLIC ENGINEERING LIU PINGHUA (US) 2014-06-26 WO claimed
US-20140158148-A1 HAIR CARE PRODUCTS WITH SELECTED QUARTERNARY AMMONIUM COMPOUNDS AND SILICONES CONTAINING SUGAR STRUCTURES HENKEL AG & CO. KGAA (DE) 2014-06-12 US claimed
US-20130130902-A1 STABILIZED BIO-AVAILABLE SOLUBLE SILICATE SOLUTION TAMINCO (BE) 2013-05-23 US claimed
EP-2371220-A1 Stabilized bio-available soluble silicate solution Taminco (BE) 2011-10-05 EP claimed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 US claimed
US-20030216259-A1 Herbicidal composition and a method of using a naturally-occurring organic compound as a herbicide GREENER PASTURES DEVELOPMENT CORPORATION (US) 2003-11-20 US claimed
CN-1179081-A Osmolyte regulator TALL HOLDINGS PTY LTD AB (AU) 1998-04-15 CN claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 SLC22A4 1803/4885CYP3A4 2124/4885SLC7A5 3604/4885
US-20030216259-A1 Herbicidal composition and a method of using a naturally-occurring organic compound as a herbicide DDT, AOX1, HACL2 SLC22A4 2416/4885CYP3A4 286/4885SLC7A5 4521/4885
US-20250115557-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS SCLY, SELENOI, SRM SLC22A4 1506/4885CYP3A4 660/4885SLC7A5 201/4885
US-20260132994-A1 METHODS FOR ENERGY STORAGE AND RELEASE HSPA4L, TES, TESK1 SLC22A4 1933/4885CYP3A4 2219/4885SLC7A5 491/4885
US-20150225755-A1 Ergothioneine Production Through Metabolic Engineering HNMT, SHMT1, TST SLC22A4 447/4885CYP3A4 761/4885SLC7A5 494/4885
US-20260118289-A1 SYSTEMS AND METHODS FOR EVALUATING HYDROGEN GENERATION POTENTIAL FROM ROCKS FOR NATURAL HYDROGEN EXPLORATION HMOX2, HMOX1, MT-CO2 SLC22A4 897/4885CYP3A4 1472/4885SLC7A5 1357/4885
US-20140158148-A1 HAIR CARE PRODUCTS WITH SELECTED QUARTERNARY AMMONIUM COMPOUNDS AND SILICONES CONTAINING SUGAR STRUCTURES NACA, PTCD3, ACMSD SLC22A4 778/4885CYP3A4 4393/4885SLC7A5 72/4885
US-20260110006-A1 HISTIDINE TRANSMETHYLASE MUTANT AND USE THEREOF BHMT, SHMT1, GNMT SLC22A4 330/4885CYP3A4 1319/4885SLC7A5 76/4885
US-20250327105-A1 SCALABLE, ECONOMICAL SYNTHESIS OF SELENONEINE AND ITS ANALOGS SCLY, SELENOI, SMS SLC22A4 2025/4885CYP3A4 612/4885SLC7A5 213/4885

“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.