SCHEMBL720559

SCHEMBL720559

O=C1C=NSc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.33
CYP19A1 P11511 2/20 0.33
TNF P01375 2/20 0.33
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
ANPEP P15144 2/20 0.31
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31

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
Hydrochloric Acid SCHEMBL3154489 0.98 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ECYP1A2CYP2A6
SCHEMBL7845462 0.81 KDM4E (0.34) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL7837771 0.77 KDM4E (0.34) ALDH1A1HPGDKDM4E
SCHEMBL7994953 0.74 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ECYP1A2CYP2A6
SCHEMBL1868060 0.68 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ECYP1A2MEN1
SCHEMBL8275 0.67 RYR2 (0.31) ALDH1A1HPGDKDM4E
SCHEMBL3081411 0.67 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ECYP1A2MEN1
SCHEMBL9211141 0.67 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ECYP1A2MEN1
SCHEMBL8694283 0.67 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ECYP1A2CYP2A6
SCHEMBL1119424 0.65 TRPA1 (0.59) HPGDCYP1A2CYP2A6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 EP claimed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 WO claimed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US claimed
US-4914092-A ANTIULCER AGENTS SYNTHELABO (FR) 1990-04-03 US claimed
JP-1311073-A None JP disclosed
EP-4424697-A2 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME Bausch Health Ireland Limited (IE) 2024-09-04 EP disclosed
CN-114787200-A Method for forming inclusion complex using hydrophilic beta-cyclodextrin derivatives and compositions thereof 塔卡美国公司 2022-07-22 CN disclosed
EP-3962963-A1 METHODS FOR FORMING INCLUSION COMPLEXES WITH HYDROPHILIC ß-CYCLODEXTRIN DERIVATIVES AND COMPOSITIONS THEREOF Taka USA, Inc. (US) 2022-03-09 EP disclosed
US-20200347153-A1 METHODS FOR FORMING INCLUSION COMPLEXES WITH HYDROPHILIC BETA-CYCLODEXTRIN DERIVATIVES AND COMPOSITIONS THEREOF TAKA USA, INC. (US) 2020-11-05 US disclosed
WO-2020223393-A1 METHODS FOR FORMING INCLUSION COMPLEXES WITH HYDROPHILIC β-CYCLODEXTRIN DERIVATIVES AND COMPOSITIONS THEREOF TAKA USA, INC. (US) 2020-11-05 WO disclosed
US-20190054022-A1 FORMULATIONS OF SITE-SPECIFIC, MICROPARTICULATE COMPOSITIONS AND THEIR USE TO IMPROVE OUTCOME AFTER ANEURSYMAL SUBARACHNOID HEMORRHAGE EDGE THERAPEUTICS, INC. 2019-02-21 US disclosed
US-10092524-B2 Compositions and their use to treat complications of aneurysmal subarachnoid hemorrhage EDGE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
WO-1995027510-A1 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORPORATION (US) 1995-10-19 WO disclosed
EP-0430544-A1 Process for resolving chiral intermediates used in making calcium channel blockers E.R. SQUIBB & SONS, INC. (US) 1991-06-05 EP disclosed
US-4914092-A ANTIULCER AGENTS SYNTHELABO (FR) 1990-04-03 US disclosed
US-4914092-A ANTIULCER AGENTS SYNTHELABO (FR) 1990-04-03 US disclosed
US-4914092-A ANTIULCER AGENTS SYNTHELABO (FR) 1990-04-03 US disclosed
JP-H01311073-A BENZOTHIAZEPIN-4-ONE DERIVATIVE, PREPARATION THEREOF, AND APPLICATION TO MEDICINE SYNTHELABO SA 1989-12-15 JP disclosed
US-3983106-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3948889-A CHEMICAL INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1976-04-06 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-20200347153-A1 METHODS FOR FORMING INCLUSION COMPLEXES WITH HYDROPHILIC BETA-CYCLODEXTRIN DERIVATIVES AND COMPOSITIONS THEREOF DSC1, PDCD2L, GANC ALDH1A1 2397/4885HPGD 2468/4885KDM4E 4309/4885

“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.