SCHEMBL255145

SCHEMBL255145

O=C(O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.57
MMP2 P08253 6/20 0.57
MMP8 P22894 6/20 0.57
MMP9 P14780 5/20 0.57
HPGD P15428 1/20 0.57
HIF1A Q16665 1/20 0.56
EPAS1 Q99814 1/20 0.56
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL14715273 0.95 MMP13 (0.56) MMP13MMP2MMP8MMP9HPGD
SCHEMBL15235767 0.94 HPGD (0.54) MMP13MMP2MMP8MMP9HPGD
SCHEMBL426993 0.91 HPGD (0.66) HPGDHIF1AEPAS1ALDH1A1
SCHEMBL13984645 0.91 HPGD (0.51) MMP13MMP2MMP8MMP9HPGD
SCHEMBL13244576 0.91 HPGD (0.51) MMP13MMP2MMP8MMP9HPGD
Hydrochloric Acid SCHEMBL1177256 0.90 HPGD (0.64) HPGDHIF1AEPAS1ALDH1A1
SCHEMBL13244732 0.88 MMP13 (0.50) MMP13MMP2MMP8MMP9HPGD
SCHEMBL27805648 0.87 MMP13 (0.56) MMP13MMP2MMP8MMP9HPGD
SCHEMBL6889864 0.87 ALDH1A1 (0.48) MMP13MMP2MMP8MMP9ALDH1A1
SCHEMBL13266931 0.87 HPGD (0.61) HPGDHIF1AEPAS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171400-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2025-05-29 US disclosed
US-12227475-B2 Aza-heterocyclyl carboxamide and related compounds and their use in treating medical conditions X-BIOTIX THERAPEUTICS, INC. 2025-02-18 US disclosed
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2023-05-04 US disclosed
CN-105669750-B New zinc ion chelating agent and its preparation and the application in anti-gram positive bacterial infection 中国医学科学院医药生物技术研究所 2018-04-03 CN disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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 (6 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-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 MMP13 796/4885MMP2 1742/4885MMP8 320/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 MMP13 2049/4885MMP2 446/4885MMP8 91/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 MMP13 2049/4885MMP2 446/4885MMP8 91/4885
US-12227475-B2 Aza-heterocyclyl carboxamide and related compounds and their use in treating medical conditions AADAC, AZI2, CBX7 MMP13 796/4885MMP2 1742/4885MMP8 320/4885
US-20250171400-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 MMP13 796/4885MMP2 1742/4885MMP8 320/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX MMP13 2833/4885MMP2 2800/4885MMP8 1588/4885

“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.