SCHEMBL3742866

SCHEMBL3742866

[CH2]Sc1nnnn1CCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
DCUN1D1 Q96GG9 16/20 0.45
UBE2M P61081 15/20 0.45
ALDH1A1 P00352 2/20 0.38
KDM1A O60341 2/20 0.36

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
SCHEMBL3742869 0.84 LMNA (0.71) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL21916114 0.82 ALDH1A1 (0.59) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL9479991 0.81 LMNA (0.42) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL21916781 0.81 ALDH1A1 (0.50) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL22423463 0.81 ALDH1A1 (0.50) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL21916782 0.81 LMNA (0.47) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL9050024 0.80 ALDH1A1 (0.49) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL11689701 0.79 KMT2A (0.53) LMNAKMT2AALDH1A1
SCHEMBL22423528 0.79 ALDH1A1 (0.51) LMNAKMT2ADCUN1D1UBE2MALDH1A1
SCHEMBL21915932 0.79 ALDH1A1 (0.46) LMNAKMT2ADCUN1D1UBE2MALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004101572-A1 7-GLUTARYL IMIDE CEPHALOSPORANIC ACID DERIVATIVES AND PROCESS FOR PREPARING IT CKD BIO CORPORATION (KR) 2004-11-25 WO claimed
US-6420554-B1 REACTION OF BETA LACTAM WITH PHOSPHOROUS HALIDE IN THE PRESENCE OF BASE, ADDING PHENOL, REACTION WITH ALCOHOL AND REMOVAL OF ESTER OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-07-16 US claimed
EP-0137534-B1 ONE-POT PROCESS FOR PREPARATION OF 7BETA-AMINO- AND 7BETA-ACYLAMINO- 3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR DEOXYGENATION OF 7BETA-ACYLAMINO-3-CEPHEM-4-CARBOXYLIC ACID 1-OXIDE DERIVATIVES GIST-BROCADES N.V. (NL) 1990-05-16 EP claimed
US-4547573-A BACTERICIDES ICI PHARMA (FR) 1985-10-15 US claimed
EP-0137534-A2 One-pot process for preparation of 7beta-amino- and 7beta-acylamino- 3-substituted methyl-3-cephem-4-carboxylic acid derivatives and process for deoxygenation of 7beta-acylamino-3-cephem-4-carboxylic acid 1-oxide derivatives GIST-BROCADES N.V. (NL) 1985-04-17 EP claimed
US-4504478-A Cephalosporin-1-oxide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1985-03-12 US claimed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US claimed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US claimed
EP-0113965-A2 Process for the preparation of cephalosporin derivatives ICI PHARMA (FR) 1984-07-25 EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0082648-A2 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-4263280-A OF ANTIBIOTICS CEFSULODIN SODIUM, GENTAMYCIN C CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
EP-0004925-A1 Synergistic mixtures of antibiotics and process for their production CIBA-GEIGY AG (CH) 1979-10-31 EP disclosed
EP-0003960-A1 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-19 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-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 LMNA 2899/4885KMT2A 3465/4885DCUN1D1 4137/4885

“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.