SCHEMBL4734795

SCHEMBL4734795

COC(=O)c1cc(OC)c(OC)c(OC)c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
POLB P06746 2/20 1.00
HSD17B10 Q99714 3/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 4/20 0.50
PKM P14618 1/20 0.47
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CISD2 Q8N5K1 1/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42

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
SCHEMBL3470106 0.88 KDM4E (0.77) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL28594907 0.84 KDM4E (0.72) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL2034454 0.84 KDM4E (0.72) KDM4EPOLBHSD17B10USP2PKM
SCHEMBL30498915 0.84 KDM4E (0.72) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL11929030 0.81 KDM4E (0.69) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL12135968 0.80 KDM4E (0.67) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL9576652 0.80 KDM4E (0.67) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL30251221 0.80 KDM4E (0.67) KDM4EPOLBHSD17B10USP2GAA
SCHEMBL23489012 0.80 KDM4E (0.66) KDM4EPOLBHSD17B10USP2PKM
SCHEMBL13753820 0.79 KDM4E (0.65) KDM4EPOLBHSD17B10USP2GAA

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
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-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 CN disclosed
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed
US-5521181-A Bicyclic substituted hexahydrobenz[e]isoindole α-1 adrenergic antagonists ABBOTT LABORATORIES (US) 1996-05-28 US disclosed
US-4785010-A AGING RESISTANCE OF HUMANS CASSELLA AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0206616-A2 Quinolones having antihypertensive activity The Boots Company PLC (GB) 1986-12-30 EP disclosed
US-4351832-A 2-(Piperazinyl)-4-pyrimidinamines AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US disclosed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 KDM4E 2744/4885POLB 2618/4885HSD17B10 1218/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 KDM4E 2024/4885POLB 4409/4885HSD17B10 119/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 KDM4E 1437/4885POLB 4041/4885HSD17B10 361/4885

“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.