SCHEMBL4728946

SCHEMBL4728946

COc1cc(N)c(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.57
CTSL P07711 3/20 0.57
SRD5A1 P18405 2/20 0.55
SRD5A2 P31213 2/20 0.55
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXRA P19793 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FOLH1 Q04609 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL3138320 1.00 CTSV (0.57) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL7214919 0.91 SRD5A1 (0.58) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL874091 0.90 HTT (0.55) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL4469125 0.90 SMN1; SMN2 (0.52) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL159448 0.90 HTT (0.55) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL340527 0.90 SMN1; SMN2 (0.52) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL1892032 0.89 KDM4E (0.66) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL1012178 0.89 KDM4E (0.66) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL23459152 0.88 KDM4E (0.52) CTSVCTSLSRD5A1SRD5A2NPC1
SCHEMBL2089698 0.88 KDM4E (0.52) CTSVCTSLSRD5A1SRD5A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 US disclosed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 EP disclosed
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 CN disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
CN-115677701-A Benzo heterocyclic compound and preparation method and application thereof 昆药集团股份有限公司 2023-02-03 CN disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 CN disclosed
US-20220162172-A1 QUINAZOLINONE COMPOUNDS CEREPEUT, INC. 2022-05-26 US disclosed
EP-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP disclosed
CN-101619042-B Method for synthesizing aromatic pyrimidine-4(3H)-ketone compounds UNIV ZHEJIANG TECHNOLOGY 2011-11-09 CN disclosed
EP-2305633-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2011-04-06 EP disclosed
CN-101619042-A Method for synthesizing aromatic pyrimidine-4(3H)-ketone compounds UNIV ZHEJIANG TECHNOLOGY 2010-01-06 CN disclosed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 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 (3 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-20220162172-A1 QUINAZOLINONE COMPOUNDS NDUFAB1, NDUFV1, NDUFV2 CTSV 2833/4885CTSL 2562/4885SRD5A1 2399/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 CTSV 2455/4885CTSL 1998/4885SRD5A1 1432/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 CTSV 3276/4885CTSL 3730/4885SRD5A1 1300/4885

“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.