SCHEMBL5113964

SCHEMBL5113964

O=C(NCc1cc(Cl)ccc1Cl)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PLEC Q15149 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ABL1 P00519 1/20 0.41
LMNA P02545 2/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL5123411 0.92 NPC1 (0.55) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5130566 0.90 KDM4E (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5251255 0.89 HPGD (0.47) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5118139 0.88 KDM4E (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5122049 0.88 KDM4E (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5248385 0.85 KMT2A (0.58) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5122062 0.84 KDM4E (0.44) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5251985 0.84 NPC1 (0.55) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5129453 0.84 ERCC1 (0.48) KDM4EKMT2AMEN1PLECSMN1; SMN2
SCHEMBL5121107 0.84 KMT2A (0.49) KDM4ENPC1RAB9AKMT2AMEN1

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 KDM4E 414/4885NPC1 2830/4885RAB9A 3221/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP KDM4E 337/4885NPC1 3019/4885RAB9A 3288/4885

“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.