Sugi Predict

Sugi Predict / Compounds / Pyrrole

Pyrrole

Pyrrole

SCHEMBL6891936

NC(=O)c1cc2ccccc2[nH]c1=O.c1cc[nH]c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.50
▸ DDO Q99489 1/20 0.50
▸ SMYD3 Q9H7B4 2/20 0.49
▸ BRD4 O60885 1/20 0.46
▸ KDM4E B2RXH2 7/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PADI4 Q9UM07 2/20 0.45
▸ TSHR P16473 4/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL29390425 0.92 DAO (0.58) DAODDOSMYD3BRD4KDM4E
SCHEMBL29537 0.92 DAO (0.58) DAODDOSMYD3BRD4KDM4E
Hydrochloric Acid SCHEMBL30321479 0.91 DAO (0.56) DAODDOSMYD3BRD4KDM4E
Pyrrole SCHEMBL7648947 0.80 KDM4E (0.61) DAOKDM4EALDH1A1MAPK1GAA
SCHEMBL1367711 0.79 DAO (0.61) DAODDOSMYD3BRD4KDM4E
SCHEMBL1368873 0.78 DAO (0.56) DAODDOSMYD3BRD4KDM4E
SCHEMBL19144385 0.78 DAO (0.56) DAODDOSMYD3BRD4KDM4E
SCHEMBL5469228 0.78 DAO (0.56) DAODDOSMYD3BRD4KDM4E
SCHEMBL31394 0.77 KDM4E (0.59) DAODDOSMYD3BRD4KDM4E
SCHEMBL29364659 0.77 KDM4E (0.59) DAODDOSMYD3BRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683181-B2 MIXING POLYSTYRENE-TOSYL CHLORIDE RESIN WITH C2-12ALKYNOL; REACTING WITH AMINE TO MAKE CHEMICAL INTERMEDIATE; HERPES VIRUS TREATMENT PHARMACIA AND UPJOHN COMAPNY 2004-01-27 — — US disclosed
US-20030153561-A1 Pyrroloquinolones as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-14 — — US disclosed
EP-1299386-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 — — EP disclosed
US-6525049-B2 Such as N-(4-chlorobenzyl)-2-(hydroxymethyl)-6-oxo-6H-pyrrolo (3,2,1-ij)quinoline-5-carboxamide for treatment of herpes PHARMACIA & UPJOHN COMPANY 2003-02-25 — — US disclosed
US-20020055636-A1 Pyrroloquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-05-09 — — US disclosed
WO-2002002558-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 — — 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 (2 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-20030153561-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 DAO 2531/4885DDO 1583/4885SMYD3 3122/4885
US-20020055636-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 DAO 2531/4885DDO 1583/4885SMYD3 3122/4885

“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.