SCHEMBL29978756

SCHEMBL29978756

O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1c(F)cccc1F)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
IDH1 O75874 1/20 0.38
MAOA P21397 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 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
SCHEMBL25138407 1.00 ESR1 (0.40) ESR1MAPTKDM4EALDH1A1GAA
SCHEMBL25138380 0.94 KMT2A (0.43) MAPTKDM4EALDH1A1GAAITGB3
SCHEMBL29979296 0.94 KMT2A (0.43) MAPTKDM4EALDH1A1GAAITGB3
SCHEMBL25138345 0.92 ESR1 (0.39) ESR1MAPTKDM4EALDH1A1GAA
SCHEMBL23769082 0.91 MAPT (0.38) ESR1MAPTKDM4EALDH1A1GAA
SCHEMBL29978911 0.91 MAPT (0.38) ESR1MAPTKDM4EALDH1A1GAA
SCHEMBL25138334 0.91 ESR1 (0.38) ESR1MAPTKDM4EALDH1A1GAA
SCHEMBL25138331 0.89 PYGL (0.39) ESR1MAPTKDM4EALDH1A1GAA
SCHEMBL25138347 0.86 ESR1 (0.43) ESR1MAPTKDM4EALDH1A1GAA
SCHEMBL29978918 0.86 ESR1 (0.43) ESR1MAPTKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 CN claimed
CN-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 CN claimed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 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-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS ESR1 4033/4885MAPT 3716/4885KDM4E 3623/4885

“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.