SCHEMBL5114712

SCHEMBL5114712

Cc1ccccc1CNC(=O)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAOB P27338 1/20 0.44
RAB9A P51151 1/20 0.44
ERCC1 P07992 3/20 0.43
FEN1 P39748 3/20 0.43
ERCC4 Q92889 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
DNASE1 P24855 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL5127644 0.92 POLB (0.43) POLBALDH1A1MEN1GAAPKM
SCHEMBL5125227 0.89 NPC1 (0.42) POLBMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL5129591 0.89 NPC1 (0.42) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5251255 0.87 HPGD (0.47) ALDH1A1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL5252286 0.87 HPGD (0.55) MEN1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL5128865 0.87 SMN1; SMN2 (0.45) PKMKMT2ASMN1; SMN2LMNANPC1
SCHEMBL5119262 0.87 KMT2A (0.53) ALDH1A1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL5130566 0.87 KDM4E (0.46) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5122049 0.87 KDM4E (0.46) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5116496 0.86 SMN1; SMN2 (0.43) ALDH1A1MEN1PKMKMT2AHPGD

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 11 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-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-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-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-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
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 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 POLB 101/4885ALDH1A1 1079/4885MEN1 4445/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP POLB 112/4885ALDH1A1 1116/4885MEN1 4519/4885

“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.