SCHEMBL30165056

SCHEMBL30165056

O=C(c1cccc(Cc2cnc(OCc3ccccc3)c(C(F)(F)F)c2)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 1/20 0.62
SLC6A7 Q99884 5/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
PARP1 P09874 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.41
MGLL Q99685 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
SCHEMBL24968427 1.00 TIPARP (0.62) TIPARPSLC6A7MRGPRX4PARP1ALDH1A1
SCHEMBL24968300 0.80 TIPARP (0.75) TIPARPSLC6A7PARP1KDM4EMGLL
SCHEMBL30165098 0.80 TIPARP (0.75) TIPARPSLC6A7PARP1KDM4EMGLL
SCHEMBL30851256 0.80 MRGPRX4 (0.59) MRGPRX4
SCHEMBL24968426 0.80 MRGPRX4 (0.59) MRGPRX4
SCHEMBL25270477 0.77 TIPARP (1.00) TIPARPPARP1
SCHEMBL24968420 0.76 MRGPRX4 (0.53) MRGPRX4LMNA
SCHEMBL30390234 0.76 TIPARP (0.60) TIPARPSLC6A7ALDH1A1LMNAKDM4E
SCHEMBL25272191 0.76 TIPARP (0.60) TIPARPSLC6A7ALDH1A1LMNAKDM4E
SCHEMBL24968185 0.73 TIPARP (0.44) TIPARPCHRM2CHRM1MEN1KMT2A

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 2 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
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 TIPARP 142/4885SLC6A7 439/4885MRGPRX4 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.