SCHEMBL6621773

SCHEMBL6621773

NC(=O)C[n+]1ccccc1[S]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.54
APOBEC3A P31941 2/20 0.54
APOBEC3G Q9HC16 2/20 0.54
HPGD P15428 1/20 0.54
USP2 O75604 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ACHE P22303 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 2/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL11002069 0.82 KMT2A (0.38) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
SCHEMBL6621776 0.78 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
Hydrochloric Acid SCHEMBL28067678 0.77 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
SCHEMBL9332200 0.73 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
SCHEMBL9332188 0.73 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
SCHEMBL12766418 0.72 MEN1 (0.96) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
Hydrochloric Acid SCHEMBL1520305 0.70 MEN1 (0.93) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
SCHEMBL9455112 0.66 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
SCHEMBL9455116 0.66 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A
SCHEMBL29620210 0.66 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251133-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2004-10-13 EP disclosed
US-6680313-B2 1-HYDROXYETHYL-2(IMIDAZO(5,1B)THIAZOL-2-YL-1-CARBAPEN-2-EM-3-C CARBOXYLIC ACID OR SALT, EXCELLENT ANTIBIOTIC ACTIVITY AGAINST A WIDE SPECTRUM OF BACTERIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-20 US disclosed
US-20030027809-A1 Novel carbapenum derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-06 US disclosed
EP-1251133-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 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 (1 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-20030027809-A1 Novel carbapenum derivatives DHPS, DPEP1, OXA1L KMT2A 733/4885MEN1 2205/4885ALDH1A1 260/4885

“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.