SCHEMBL402852

SCHEMBL402852

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
DAO P14920 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
TP53 P04637 1/20 0.52
SRD5A2 P31213 2/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PTPN11 Q06124 1/20 0.50
VCP P55072 1/20 0.47
HNF4A P41235 1/20 0.47
PKM P14618 1/20 0.47
FFAR1 O14842 1/20 0.47
TRPA1 O75762 1/20 0.47
SLC16A3 O15427 1/20 0.46
APP P05067 1/20 0.46
GRM5 P41594 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL2679567 0.93 TSHR (0.60) TSHRDAONAPRTRARBRARG
SCHEMBL402518 0.91 RARB (0.62) TSHRDAONAPRTRARBRARG
Hydrochloric Acid SCHEMBL2707922 0.89 RARB (0.60) TSHRDAONAPRTRARBRARG
SCHEMBL16103102 0.85 RARB (0.56) TSHRDAONAPRTRARBRARG
Diphenylacetylene SCHEMBL8847150 0.84 TSHR (0.70) TSHRDAONAPRTRARBRARG
SCHEMBL69572 0.84 RARB (0.69) TSHRDAONAPRTRARBRARG
SCHEMBL29789030 0.84 RARB (0.69) TSHRDAONAPRTRARBRARG
SCHEMBL15960259 0.83 RARB (0.55) TSHRRARBRARGTP53SRD5A2
SCHEMBL403432 0.83 APP (0.50) TSHRDAONAPRTRARBRARG
SCHEMBL10411918 0.83 ALDH1A1 (0.61) TSHRTP53SRD5A2CES2CES1

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 48 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-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN 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
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN 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
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
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 (7 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 4122/4885DAO 575/4885NAPRT 1142/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 TSHR 3937/4885DAO 519/4885NAPRT 2324/4885
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 TSHR 3250/4885DAO 1104/4885NAPRT 79/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TSHR 4087/4885DAO 561/4885NAPRT 1169/4885
US-12227475-B2 Aza-heterocyclyl carboxamide and related compounds and their use in treating medical conditions AADAC, AZI2, CBX7 TSHR 3250/4885DAO 1104/4885NAPRT 79/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885DAO 575/4885NAPRT 1142/4885
US-20250171400-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 TSHR 3250/4885DAO 1104/4885NAPRT 79/4885

“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.