SCHEMBL1004454

SCHEMBL1004454

CN(CCO)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
MLYCD O95822 2/20 0.50
PDK2 Q15119 1/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HDAC4 P56524 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD11B1 P28845 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45

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
Hydrochloric Acid SCHEMBL27878081 0.98 KMT2A (0.50) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL11210779 0.90 KMT2A (0.56) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL10795881 0.90 HDAC4 (0.54) CDK4CCND1MLYCDPDK2HDAC6
SCHEMBL8070639 0.85 HDAC6 (0.54) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL8641718 0.84 HDAC6 (0.59) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL1006489 0.84 NAMPT (0.54) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL6598473 0.84 KMT2A (0.51) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL11210960 0.84 HDAC6 (0.59) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL3362719 0.83 KMT2A (0.55) KMT2AMEN1CDK4CCND1MLYCD
SCHEMBL11208187 0.83 AKR1C3 (0.50) KMT2AMEN1L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103608350-B Triazolopyridine compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN claimed
CN-103608350-A Triazolopyridine compounds BAYER IP GMBH 2014-02-26 CN claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
US-20250074887-A1 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF Sea Pharmaceuticals LLC. (US) 2025-03-06 US disclosed
WO-2023130008-A2 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF SEA PHARMACEUTICALS LLC (US) 2023-07-06 WO disclosed
WO-2023130008-A2 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF SEA PHARMACEUTICALS LLC (US) 2023-07-06 WO disclosed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-11492340-B2 Heteroaromatic electrophiles and methods of using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-11-08 US disclosed
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF OHIO STATE INNOVATION FOUNDATION 2022-06-30 US disclosed
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP disclosed
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-5478856-A Styrene derivatives and salts thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
US-5478851-A Hyperglycemic agent and antilipemic agent BEECHAM GROUP PLC (GB) 1995-12-26 US disclosed
US-5399577-A Lipoxygenase and cyclooxygenase inhibitor, antiasthma, antiinflammatory TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-21 US disclosed
EP-0633254-A1 NOVEL ISOXAZOLE DERIVATIVE AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0623603-A1 STYRENE DERIVATIVE AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
EP-0555264-A1 NOVEL COMPOUNDS BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007850-A1 NOVEL COMPOUNDS BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed
US-4874857-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
US-4017522-A MICROBIOCIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-04-12 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 (5 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-11492340-B2 Heteroaromatic electrophiles and methods of using thereof ACHE, BCHE, CHAT KMT2A 1480/4885MEN1 4083/4885CDK4 1913/4885
US-20250074887-A1 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF GABRQ, GRIK5, CYP3A7 KMT2A 1192/4885MEN1 1622/4885CDK4 3682/4885
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF ACHE, BCHE, CHAT KMT2A 1480/4885MEN1 4083/4885CDK4 1913/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 KMT2A 2508/4885MEN1 469/4885CDK4 252/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 KMT2A 100/4885MEN1 4206/4885CDK4 1171/4885

“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.