SCHEMBL24968420

SCHEMBL24968420

COC(=O)c1cccc(Cc2cnc(OCc3ccccc3)c(C(F)(F)F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.53
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 2/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
PPIA P62937 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL24968426 0.89 MRGPRX4 (0.59) MRGPRX4NR1H2NR1H3
SCHEMBL30851256 0.89 MRGPRX4 (0.59) MRGPRX4NR1H2NR1H3
SCHEMBL27233839 0.77 RXRA (0.48) MRGPRX4NR1H2NR1H3
SCHEMBL30165056 0.76 TIPARP (0.62) MRGPRX4LMNA
SCHEMBL24968427 0.76 TIPARP (0.62) MRGPRX4LMNA
SCHEMBL2069334 0.75 LOXL2 (0.68) MRGPRX4LMNAHPGDLOXL2CYP4F2
SCHEMBL22469944 0.74 MRGPRX4 (0.78) MRGPRX4LMNA
SCHEMBL29165959 0.74 MRGPRX4 (0.40) MRGPRX4NR1H2NR1H3
SCHEMBL3901919 0.74 MRGPRX4 (0.69) MRGPRX4LMNAHPGD
SCHEMBL3901040 0.74 MRGPRX4 (0.60) MRGPRX4LMNAHPGDPPIA

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 4 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

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 MRGPRX4 1452/4885NR1H2 3795/4885NR1H3 3483/4885

“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.