SCHEMBL3731789

SCHEMBL3731789

[NH]C(=O)C(N)C1=CCC=CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC15A1 P46059 1/20 0.37
BLM P54132 1/20 0.37
PTGS1 P23219 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL8122789 1.00 KDM4E (0.37) KDM4EMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL3731792 0.82 KDM4E (0.38) KDM4EMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL5522727 0.82 MEN1 (0.40) KDM4EMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL8627478 0.82 KDM4E (0.38) KDM4EMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL11298974 0.82 MEN1 (0.40) KDM4EMAPTCYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL9827792 0.79 KDM4E (0.36) KDM4EMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL13957832 0.77 PTGS1 (0.45) KDM4EMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL19061572 0.77 KDM4E (0.45) KDM4EMAPTCYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL11597040 0.75 PTGS1 (0.44) KDM4EMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL12317978 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed
US-5395931-A 6-amido-1-methyl-2-(substituted-thio)carbapenems MERCK & CO., INC. (US) 1995-03-07 US disclosed
US-4182863-A ANTIBACTERIAL BRISTOL-MYERS COMPANY (US) 1980-01-08 US disclosed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4151352-A CEPHALOSPORINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1979-04-24 US disclosed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US disclosed
US-4100346-A Certain 7(o-amino-methyl- or methylaminomethylphenyl- or cyclohexadienyl- or thienylacetamide)-3[1-carboxymethyl-(or ethyl- or propyl-)-tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acids BRISTOL-MYERS COMPANY (US) 1978-07-11 US disclosed
US-4082912-A ANTIBACTERIAL BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed
US-4068066-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4065622-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-3946000-A BACTERICIDES, POULTRY, ANIMALS BRISTOL-MYERS COMPANY (US) 1976-03-23 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 (3 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 KDM4E 2715/4885MAPT 4482/4885CYP3A4 313/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 KDM4E 4093/4885MAPT 3289/4885CYP3A4 134/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 KDM4E 2715/4885MAPT 4482/4885CYP3A4 313/4885

“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.