SCHEMBL5118060

SCHEMBL5118060

NC(C(=O)OCc1ccccc1)c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 1/20 0.41
RAB9A P51151 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL5116009 0.94 S1PR4 (0.43) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL5114308 0.90 THRB (0.41) LMNAMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL5121892 0.88 KCNA5 (0.50) MAPTL3MBTL1ALDH1A1KMT2AADORA2A
SCHEMBL2208619 0.86 LMNA (0.47) LMNAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL5127795 0.85 ADORA2A (0.43) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL5114012 0.84 HPGD (0.49) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5253701 0.84 NPC1 (0.45) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5127722 0.84 ALDH1A1 (0.46) LMNAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL5129741 0.83 PRSS1 (0.38) MAPTALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5120961 0.83 CNR1 (0.45) HPGDCYP1A2CYP2C19KMT2A

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 LMNA 4057/4885MAPT 3360/4885L3MBTL1 1145/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP LMNA 4198/4885MAPT 3326/4885L3MBTL1 1213/4885

“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.