SCHEMBL2107033

SCHEMBL2107033

CCOC(=O)CNc1ccccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
PPID Q08752 1/20 0.48
PTPN1 P18031 2/20 0.47
ELANE P08246 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP3A4 P08684 2/20 0.46
SOAT1 P35610 2/20 0.46
KCNQ2 O43526 1/20 0.46
CYP2D6 P10635 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL31059203 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL11320449 0.83 TOP2A (0.56) ALDH1A1KDM4EL3MBTL1PTPN1ELANE
SCHEMBL11292099 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1PTPN1ELANE
SCHEMBL11328568 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1PTPN1ELANE
SCHEMBL5786263 0.81 GAA (0.54) ALDH1A1KDM4EPPIDELANEHTT
SCHEMBL31518574 0.80 KDM4E (0.58) ALDH1A1KDM4EHPGDL3MBTL1PPID
SCHEMBL29926725 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDPPIDELANE
SCHEMBL6909147 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDPPIDELANE
SCHEMBL7415643 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EPPIDELANEHTT
Hydrochloric Acid SCHEMBL8122459 0.80 GAA (0.53) ALDH1A1KDM4EPPIDELANEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049804-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE UNIV INDIANA RES & TECH CORP (US) 2025-02-13 US disclosed
US-12161642-B2 Ferrochelatase inhibitors and methods of use INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2024-12-10 US disclosed
US-20210121465-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-04-29 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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 (4 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-20250049804-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE FECH, SLC40A1, TPI1 ALDH1A1 701/4885KDM4E 1246/4885HPGD 564/4885
US-20210121465-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE FECH, SLC40A1, TPI1 ALDH1A1 701/4885KDM4E 1246/4885HPGD 564/4885
US-12161642-B2 Ferrochelatase inhibitors and methods of use FECH, SLC40A1, TPI1 ALDH1A1 701/4885KDM4E 1246/4885HPGD 564/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 ALDH1A1 727/4885KDM4E 2752/4885HPGD 346/4885

“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.