SCHEMBL194034

SCHEMBL194034

Cc1ncsc1CCO[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
HPGD P15428 4/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A3 Q01959 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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 SCHEMBL4551268 0.98 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AKDM4EMEN1
Fumaric Acid SCHEMBL725726 0.89 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AKDM4EMEN1
Maleic Acid SCHEMBL725725 0.89 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL260785 0.88 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL260096 0.87 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL12179926 0.78 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL27938674 0.76 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6259547 0.75 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AKDM4EMEN1
Nitric Acid SCHEMBL31591110 0.75 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL2076979 0.75 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117224483-B 2- (4-Methylthiazol-5-yl) ethyl nitrate brain-targeted liposome applicable to heat assisted treatment 山东京卫制药有限公司 2024-05-10 CN claimed
CN-117224483-A 2- (4-methylthiazol-5-yl) ethyl nitrate brain-targeted liposome applicable to heat assisted treatment 山东京卫制药有限公司 2023-12-15 CN claimed
CN-108239040-B Preparation method of nitric acid 2- (4-methylthiazol-5-yl) ethyl ester hydrochloride 中国医学科学院药物研究所 2021-12-07 CN claimed
EP-1753734-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2007-02-21 EP claimed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 US claimed
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US claimed
WO-2005105765-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2005-11-10 WO claimed
CN-117224483-B 2- (4-Methylthiazol-5-yl) ethyl nitrate brain-targeted liposome applicable to heat assisted treatment 山东京卫制药有限公司 2024-05-10 CN disclosed
CN-117224483-B 2- (4-Methylthiazol-5-yl) ethyl nitrate brain-targeted liposome applicable to heat assisted treatment 山东京卫制药有限公司 2024-05-10 CN disclosed
CN-117224483-B 2- (4-Methylthiazol-5-yl) ethyl nitrate brain-targeted liposome applicable to heat assisted treatment 山东京卫制药有限公司 2024-05-10 CN disclosed
US-20240024293-A1 NOMETHIAZOLES AS A TREATMENT FOR RETT SYNDROME REVIVO THERAPEUTICS (US) 2024-01-25 US disclosed
US-20240024293-A1 NOMETHIAZOLES AS A TREATMENT FOR RETT SYNDROME REVIVO THERAPEUTICS (US) 2024-01-25 US disclosed
CN-117224483-A 2- (4-methylthiazol-5-yl) ethyl nitrate brain-targeted liposome applicable to heat assisted treatment 山东京卫制药有限公司 2023-12-15 CN disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 US disclosed
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-08-17 US disclosed
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US disclosed
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US disclosed
WO-2005105765-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2005-11-10 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 (7 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-20060183912-A1 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof NOS2, NOS1, NOS3 ALDH1A1 274/4885MAPT 3098/4885KMT2A 3145/4885
US-20060183718-A1 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof NOS2, NOS1, NOS3 ALDH1A1 202/4885MAPT 4152/4885KMT2A 2571/4885
US-20060183913-A1 Thiazole-based nitric oxide donors having acyl substuent(s) and uses thereof NOS2, NOS1, SQOR ALDH1A1 240/4885MAPT 4020/4885KMT2A 1975/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 ALDH1A1 337/4885MAPT 3663/4885KMT2A 3551/4885
US-20240024293-A1 NOMETHIAZOLES AS A TREATMENT FOR RETT SYNDROME RARS2, RET, PNMT ALDH1A1 1473/4885MAPT 35/4885KMT2A 152/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 ALDH1A1 475/4885MAPT 4219/4885KMT2A 2960/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 ALDH1A1 204/4885MAPT 4115/4885KMT2A 2758/4885

“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.