SCHEMBL6322774

SCHEMBL6322774

NCCC(=O)c1cncnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
HDAC1 Q13547 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TBXA2R P21731 3/20 0.36
TBXAS1 P24557 2/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT4 Q9Y6E7 1/20 0.36
PLOD2 O00469 1/20 0.36
BCAT2 O15382 1/20 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
SCHEMBL18906052 0.78 HCAR2 (0.54) HCAR2HDAC1TSHRCYP2C19HDAC8
SCHEMBL21133737 0.78 PLOD2 (0.62) HCAR2HDAC1HDAC8TBXAS1F7
SCHEMBL16853369 0.77 CTNNB1 (0.48) HDAC1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL16404441 0.74 CYP1A2 (0.59) CYP3A4CYP2D6CYP2C19PLOD2LMNA
SCHEMBL5163325 0.74 HCAR2 (0.48) HCAR2HDAC1CYP3A4CYP2D6CYP2C19
SCHEMBL21746892 0.74 HCAR2 (0.38) HCAR2TBXA2RTBXAS1
SCHEMBL16853371 0.74 L3MBTL1 (0.52) HDAC1CYP3A4CYP2C19HDAC8LMNA
SCHEMBL6249575 0.73 HCAR2 (0.52) HCAR2HDAC1CYP3A4CYP2C19PLOD2
SCHEMBL15568630 0.73 HCAR2 (0.52) HCAR2HDAC1CYP3A4CYP2D6CYP2C19
SCHEMBL7506719 0.73 HCAR2 (0.52) HCAR2PLOD2BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914138-B2 Urea nucleosides as therapeutic and diagnostic agents GILEAD SCIENCES, INC. (US) 2005-07-05 US disclosed
US-20030069414-A1 Urea nucleosides as therapeutic and diagnostic agents GILEAD SCIENCES, INC. 2003-04-10 US disclosed
US-6441161-B1 REACTING A NUCLEOSIDE WITH A VINYLSTANNANE COMPOUND AND CARBON MONOXIDE GILEAD SCIENCES, INC. 2002-08-27 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 (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-20030069414-A1 Urea nucleosides as therapeutic and diagnostic agents NUDT1, ADAR, DUT HCAR2 4485/4885HDAC1 3108/4885CYP3A4 3940/4885

“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.