SCHEMBL5166934

SCHEMBL5166934

O=C(O)NCc1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
TPSAB1 Q15661 2/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL18587767 0.89 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL11533429 0.89 CYP2C9 (0.65) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL16444302 0.87 CA1 (0.54) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL8602062 0.82 CYP2C9 (0.59) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL469929 0.81 KMT2A (0.63) SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL22466338 0.81 CYP2C9 (0.66) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL376127 0.80 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3457884 0.80 TSHR (0.57) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3662909 0.80 SMN1; SMN2 (0.71) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL258716 0.80 CYP2C9 (0.62) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022057787-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海有机化学研究所 2022-03-24 WO disclosed
EP-3344630-B1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-09 EP disclosed
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-11 US disclosed
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD. (CH) 2018-09-06 US disclosed
EP-3344630-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS Idorsia Pharmaceuticals Ltd (CH) 2018-07-11 EP disclosed
WO-2017037221-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2017-03-09 WO disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 CN disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 WO disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 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 (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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 CYP1A2 2060/4885CYP2D6 2087/4885CYP2C9 3126/4885
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 CYP1A2 594/4885CYP2D6 1158/4885CYP2C9 519/4885
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds MRPL21, MRM1, MT-CO1 CYP1A2 691/4885CYP2D6 326/4885CYP2C9 1137/4885
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS MRPL21, MRM1, MT-CO1 CYP1A2 691/4885CYP2D6 326/4885CYP2C9 1137/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CYP1A2 180/4885CYP2D6 30/4885CYP2C9 62/4885

“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.