SCHEMBL5250403

SCHEMBL5250403

COc1cccc(CNC(=O)c2nc(C(c3ccccc3)N3CCN(C)CC3)nc(O)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
APOBEC3A P31941 1/20 0.47
KMT2A Q03164 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
MMP13 P45452 2/20 0.43
PTGER4 P35408 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 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
SCHEMBL5129530 0.92 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1HTTMMP13
SCHEMBL5113400 0.92 THRB (0.49) SMN1; SMN2LMNAKDM4EMAPTNPSR1
SCHEMBL5128444 0.85 SLC1A2 (0.39) KMT2ANPSR1MMP13PTGER4
SCHEMBL5118543 0.84 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2LMNANPSR1PTGER4
SCHEMBL5113683 0.83 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKDM4EHTTMMP13
SCHEMBL5122756 0.83 LMNA (0.42) KMT2ASMN1; SMN2LMNAKDM4EMAPT
SCHEMBL5129521 0.82 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKDM4EHTTMMP13
SCHEMBL5118686 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKDM4EHTTMMP13
SCHEMBL5121585 0.79 HSP90AA1 (0.46) KMT2ALMNAL3MBTL1KDM4EMAPT
SCHEMBL5129380 0.77 MMP13 (0.51) KMT2ASMN1; SMN2LMNAKDM4EMAPT

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-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
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 NPC1 2830/4885APOBEC3A 171/4885KMT2A 914/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP NPC1 3019/4885APOBEC3A 161/4885KMT2A 760/4885

“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.