SCHEMBL4308113

SCHEMBL4308113

O=c1occn2cccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KLK7 P49862 1/20 0.38
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL15754813 0.67 ALDH1A1 (0.37) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL10514874 0.67 ALOX15 (0.46) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL15754656 0.65 NPC1 (0.33) KDM4EALDH1A1PARP1
SCHEMBL484880 0.62 PARP1 (0.37) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL14249149 0.62 GAA (0.35) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL30220316 0.62 KDM4E (0.40) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL2008377 0.60 LMNA (0.48) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL2008375 0.60 KDM4E (0.35) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL27985193 0.60 KDM4E (0.39) KDM4EHPGDALDH1A1GAAKLK7
SCHEMBL25514677 0.59 ALDH1A1 (0.50) KDM4EHPGDALDH1A1CA1CA9

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-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 CN disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
WO-2020113138-A1 A SYSTEM FOR SEQUENCING BIOPOLYMERS UNIVERSAL SEQUENCING TECHNOLOGY (US) 2020-06-04 WO disclosed
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 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 (2 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-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 KDM4E 4537/4885HPGD 379/4885ALDH1A1 1699/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 KDM4E 4537/4885HPGD 379/4885ALDH1A1 1699/4885

“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.