SCHEMBL387339

SCHEMBL387339

Cc1nc2c([nH]1)c(=O)[nH]c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
XBP1 P17861 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CHRNB2 P17787 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1E P28566 1/20 0.46
CHRNA3 P32297 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL5406879 0.81 HPGD (0.56) ALDH1A1SMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL3563144 0.79 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL18343921 0.79 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL10309249 0.79 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL1241218 0.79 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL6890038 0.79 CHRNB2 (0.53) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL10309259 0.77 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL10963141 0.77 ADORA2A (0.55) ALDH1A1SMN1; SMN2MAPTKMT2APDE2A
SCHEMBL10309247 0.76 GAA (0.65) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL16870007 0.76 CHRNB2 (0.57) ALDH1A1GAASMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068213-A1 USE OF A MARKER SET FOR DETERMINING THE RISK OF HAVING OR DEVELOPING BLADDER CANCER NUMARES AG (DE) 2025-04-03 WO claimed
WO-2024151651-A1 METHOD FOR TREATING NETOSIS-MEDIATED DISEASES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2024-07-18 WO claimed
WO-2022075354-A1 A METHOD FOR OBTAINING AN INDEX FOR THE DIAGNOSIS OF ALZHEIMER'S DISEASE (AD) OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2022-04-14 WO claimed
EP-3946353-A1 COMPOUNDS FOR USE IN THE TREATMENT OF ADCY5-RELATED DYSKINESIA ASSISTANCE PUBLIQUE, HOPITAUX DE PARIS (FR) 2022-02-09 EP claimed
US-20170362616-A1 BIOSYNTHETIC PRODUCTION OF CAFFEINE CODEXIS INC (US) 2017-12-21 US claimed
EP-2603227-B1 IMPROVED HEMATOPOIETIC STEM AND PROGENITOR CELL THERAPY FATE THERAPEUTICS INC (US) 2017-10-04 EP claimed
EP-3223621-A1 BIOSYNTHETIC PRODUCTION OF CAFFEINE Codexis, Inc. (US) 2017-10-04 EP claimed
EP-3217984-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 Universitat de València (ES) 2017-09-20 EP claimed
CN-107028936-A Carotenoid particle and its application IP科技有限公司 2017-08-11 CN claimed
US-20170049893-A1 CAROTENOID PARTICLES AND USES THEREOF IP SCIENCE LIMITED (GB) 2017-02-23 US claimed
WO-1998014181-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-09 WO claimed
EP-0508848-B1 Cosmetic composition for combatting skin-ageing containing in association at least one retinoid and at least one dialkyl- or trialkylxanthine OREAL (FR) 1995-07-19 EP claimed
US-5399688-A Caffeine recovery from activated carbon JACOBS SUCHARD AG (CH) 1995-03-21 US claimed
EP-0583498-A1 Improved caffeine recovery from activated carbon Jacobs Suchard AG (CH) 1994-02-23 EP claimed
EP-0508848-A1 Cosmetic composition for combatting skin-ageing containing in association at least one retinoid and at least one dialkyl- or trialkylxanthine L'OREAL (FR) 1992-10-14 EP claimed
US-4581359-A FOR BRONCHOPULMONARY INSUFFUCIENCY THE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1986-04-08 US claimed
EP-0169236-A1 CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS BATTELLE DEVELOPMENT CORPORATION (US) 1986-01-29 EP claimed
WO-1985003000-A1 CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS BATTELLE DEVELOPMENT CORPORATION (US) 1985-07-18 WO claimed
EP-0045617-A2 Pharmaceutical composition Smith and Nephew Associated Companies p.l.c. (GB) 1982-02-10 EP claimed
US-4189469-A Pharmaceutical compositions HOECHST AKTIENGESELLSCHAFT (DE) 1980-02-19 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 (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-20170049893-A1 CAROTENOID PARTICLES AND USES THEREOF CHLSN, NPC1L1, LPL ALDH1A1 4110/4885GAA 526/4885SMN1; SMN2 1652/4885

“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.