SCHEMBL5098575

SCHEMBL5098575

CC(=O)Nc1ccc(N)cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 3/20 0.52
CYP2C19 P33261 3/20 0.52
THRB P10828 2/20 0.52
RECQL P46063 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
USP2 O75604 1/20 0.52
PKM P14618 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52
MCL1 Q07820 1/20 0.52
TNF P01375 1/20 0.52
HSPD1 P10809 1/20 0.52

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
SCHEMBL973761 0.86 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL5627215 0.83 GAA (0.56) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL31196721 0.83 GAA (0.56) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL6812211 0.82 CASP1 (0.57) ALDH1A1MAPTPOLBCYP2C19CYP2C9
SCHEMBL31451940 0.81 KDM4E (0.69) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL8533041 0.81 KDM4E (0.69) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL8966015 0.81 NPC1 (0.54) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL7001348 0.80 KDM4E (0.67) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL11803827 0.80 KDM4E (0.67) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL628743 0.79 NPC1 (0.66) KDM4EHSD17B10ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20050203286-A1 Environmental protection series of reactive dyestuffs and their use EVERLIGHT USA, INC. (US) 2005-09-15 US disclosed
CN-1666988-A Environmental protection reactive dyeing and use thereof EVERLIGHT USA INC (US) 2005-09-14 CN disclosed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
WO-1995000592-A1 DISAZO DYES ZENECA LIMITED (GB) 1995-01-05 WO disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
US-3931407-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-01-06 US 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 KDM4E 702/4885HSD17B10 477/4885ALDH1A1 3269/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 KDM4E 535/4885HSD17B10 381/4885ALDH1A1 1579/4885

“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.