SCHEMBL7219657

SCHEMBL7219657

Cc1nc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.55
MAPT P10636 4/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
GRM6 O15303 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 2/20 0.38
VCAM1 P19320 3/20 0.38
CTSH P09668 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL29052934 0.82 CTSB (0.55) CTSBMAPTTSHRGRM6GRIA1
SCHEMBL18353156 0.80 CTSB (0.56) CTSBMAPTCYP3A4TSHRGRM6
SCHEMBL3917265 0.79 CTSB (0.55) CTSBMAPTCYP3A4TSHRGRM6
SCHEMBL20571804 0.78 CTSB (0.51) CTSBMAPTGRM6GRIA1GRIA2
SCHEMBL25339711 0.76 CTSB (0.37) CTSBCYP3A4TSHRTDP1POLB
SCHEMBL30810188 0.75 CTSB (0.54) CTSBMAPTCYP3A4TSHRTDP1
SCHEMBL1135629 0.75 CTSB (0.54) CTSBMAPTCYP3A4TSHRTDP1
SCHEMBL21816202 0.73 CTSB (0.49) CTSBMAPTCYP3A4TSHRGRM6
SCHEMBL952538 0.72 CTSB (0.47) CTSBMAPTCYP3A4TSHRTDP1
SCHEMBL7870324 0.72 TSHR (0.44) CTSBMAPTCYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP disclosed
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-10544113-B2 Thiazolidinone compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2020-01-28 US disclosed
US-10544113-B2 Thiazolidinone compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2020-01-28 US disclosed
EP-3426246-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF National Health Research Institutes (TW) 2019-01-16 EP disclosed
CN-108883099-A THIAZOLIDINONE COMPOUNDS AND USE THEREOF 石全 2018-11-23 CN disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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 (2 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-10544113-B2 Thiazolidinone compounds and use thereof OPRL1, OPRD1, OPRK1 CTSB 3320/4885MAPT 1648/4885CYP3A4 172/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 CTSB 2469/4885MAPT 2399/4885CYP3A4 2081/4885

“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.