SCHEMBL5129741

SCHEMBL5129741

Cc1ccc(CNC(=O)c2nc(C(N)C(=O)OCc3ccccc3)nc(O)c2O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSAB1 Q15661 1/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
OPRK1 P41145 1/20 0.36
HPGD P15428 1/20 0.36
NTSR1 P30989 1/20 0.36
SCD O00767 1/20 0.36
HCRTR1 O43613 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
SCHEMBL5114308 0.87 THRB (0.41) MAPTSMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL5116009 0.87 S1PR4 (0.43) MAPTSMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL5122211 0.84 ALDH1A1 (0.38) MAPTRXFP1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5117310 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL5127310 0.83 SMN1; SMN2 (0.37) MAPTRXFP1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5118060 0.83 LMNA (0.47) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL5114012 0.83 HPGD (0.49) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL5129745 0.82 SMN1; SMN2 (0.43) RXFP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5128605 0.82 EGLN1 (0.48) MAPTRXFP1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5119908 0.81 MAPT (0.39) MAPTRXFP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP PRSS1 230/4885PRSS2 600/4885PRSS3 737/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP PRSS1 216/4885PRSS2 508/4885PRSS3 665/4885

“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.