SCHEMBL404435

SCHEMBL404435

COC(=O)c1ccc(C#CC#Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
PTPN11 Q06124 1/20 0.58
MAPT P10636 4/20 0.56
RAB9A P51151 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
CA1 P00915 4/20 0.50

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
SCHEMBL1105504 0.93 TSHR (0.67) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL10412465 0.93 PTPN11 (0.60) TSHRPTPN11MAPTRAB9AL3MBTL1
Diphenylacetylene SCHEMBL27943421 0.87 TSHR (0.76) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL69268 0.85 PTPN11 (0.69) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL3005954 0.84 PTPN11 (0.53) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL3019329 0.84 PTPN11 (0.53) TSHRPTPN11MAPTALDH1A1TDP1
SCHEMBL3001548 0.84 CA1 (0.72) PTPN11MAPTRAB9AL3MBTL1KDM4E
SCHEMBL3013586 0.83 PTPN11 (0.52) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL15235712 0.83 TSHR (0.46) TSHRPTPN11MAPTRAB9AL3MBTL1
SCHEMBL31541846 0.83 PTPN11 (0.51) TSHRPTPN11MAPTRAB9AL3MBTL1

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 45 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
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
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 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 (8 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885PTPN11 3357/4885MAPT 4619/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 TSHR 3937/4885PTPN11 3667/4885MAPT 3822/4885
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 TSHR 3250/4885PTPN11 768/4885MAPT 4167/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TSHR 4087/4885PTPN11 3418/4885MAPT 4643/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TSHR 4122/4885PTPN11 3357/4885MAPT 4619/4885
US-12227475-B2 Aza-heterocyclyl carboxamide and related compounds and their use in treating medical conditions AADAC, AZI2, CBX7 TSHR 3250/4885PTPN11 768/4885MAPT 4167/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885PTPN11 3357/4885MAPT 4619/4885
US-20250171400-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 TSHR 3250/4885PTPN11 768/4885MAPT 4167/4885

“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.