SCHEMBL24968170

SCHEMBL24968170

FC(F)(F)c1cc(Br)cnc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
PTGER1 P34995 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
AR P10275 2/20 0.40
SSTR4 P31391 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GCK P35557 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC6A4 P31645 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL20129070 0.80 ACACB (0.37) MAOBPTGER1ARSSTR4SLC6A4
SCHEMBL15969101 0.80 MAOB (0.46) MAOBPTGER1GABRG2GABRB3GABRA5
SCHEMBL17594985 0.80 MAOB (0.49) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL26223542 0.78 GCK (0.50) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL27233839 0.78 RXRA (0.48) MRGPRX4ARRXRARXRBRXRG
SCHEMBL2713610 0.78 SSTR4 (0.49) SSTR4RXRAL3MBTL1ALDH1A1
SCHEMBL21857277 0.77 MAOB (0.46) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL30473761 0.77 MAOB (0.46) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL15053418 0.77 L3MBTL1 (0.47) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL27656945 0.77 L3MBTL1 (0.44) MRGPRX4ARRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 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 (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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 MAOB 2040/4885PTGER1 2471/4885MRGPRX4 1452/4885

“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.