SCHEMBL5255957

SCHEMBL5255957

O=C(NCC1CN(c2ccccc2)CCO1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KCNA5 P22460 1/20 0.41
▸ ERCC1 P07992 1/20 0.41
▸ DNASE1 P24855 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ HTR4 Q13639 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL5129041 0.75 NPC1 (0.55) ALDH1A1TSHRMAPK1TDP1HPGD
SCHEMBL5128470 0.74 PBK (0.43) ERCC1DNASE1FEN1ERCC4MEN1
SCHEMBL5139628 0.74 LMNA (0.63) ALDH1A1ERCC1FEN1ERCC4MEN1
SCHEMBL5118973 0.73 KDM4E (0.49) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL5123552 0.71 SMN1; SMN2 (0.61) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL12851338 0.71 KCNA5 (0.51) PPARAALDH1A1KCNA5MAPK1HPGD
SCHEMBL5121846 0.71 KDM4E (0.62) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL5114712 0.70 POLB (0.53) ALDH1A1ERCC1DNASE1FEN1ERCC4
SCHEMBL17707638 0.70 F10 (0.52) PPARAKCNA5F10
SCHEMBL5121410 0.70 ERCC1 (0.50) ALDH1A1ERCC1FEN1ERCC4MAPK1

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 9 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-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 PPARA 4410/4885ALDH1A1 1079/4885KCNA5 3996/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP PPARA 4377/4885ALDH1A1 1116/4885KCNA5 4045/4885

“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.

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