SCHEMBL23320060

SCHEMBL23320060

O=C(O)c1c[nH]c(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.52
CDC7 O00311 1/20 0.50
NOTUM Q6P988 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
DHODH Q02127 2/20 0.46
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
DAO P14920 1/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
EGFR P00533 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41

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
SCHEMBL19133994 0.85 CDC7 (0.70) KMOCDC7DHODHTSHREGFR
SCHEMBL4181380 0.83 CDC7 (0.73) KMOCDC7NOTUMCD74MIF
SCHEMBL8963513 0.80 TSHR (0.53) CDC7CASP3SENP8SENP7SENP6
SCHEMBL10939203 0.80 KDM4E (0.42) KMOCDC7CASP3SENP8SENP7
SCHEMBL27723391 0.77 KDM5A (0.46) NOTUMDAOTSHRNAPRTRAB9A
SCHEMBL3639904 0.76 PARP1 (0.50) KMONOTUMDHODHKDM4E
SCHEMBL11551276 0.76 KDM4E (0.50) DHODHKDM4EGAA
SCHEMBL10937768 0.76 CDC7 (0.39) KMOCDC7CASP3SENP8SENP7
SCHEMBL1516884 0.75 KMO (0.74) KMODHODHDAOTSHRNAPRT
SCHEMBL25352091 0.74 LMNA (0.59) TSHRKDM4EGAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850146-A Synthetic cannabinoid hapten compound and preparation method and application thereof 上海市禁毒委员会办公室 2023-03-28 CN claimed
CN-112823151-B Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-11-15 CN disclosed
WO-2024009283-A1 AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-01-11 WO disclosed
CN-115850146-A Synthetic cannabinoid hapten compound and preparation method and application thereof 上海市禁毒委员会办公室 2023-03-28 CN disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 US disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 US disclosed
CN-112823151-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2021-05-18 CN disclosed
EP-3818044-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2021-05-12 EP disclosed
CN-101300229-B 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL 2011-10-05 CN disclosed
CN-101300229-A 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL (JP) 2008-11-05 CN disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 KMO 4124/4885CDC7 644/4885NOTUM 4501/4885

“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.