SCHEMBL5251985

SCHEMBL5251985

O=C(NCc1cccc(Cl)c1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PLEC Q15149 1/20 0.47
MAOB P27338 1/20 0.46
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PTGER4 P35408 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5121107 0.92 KMT2A (0.49) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL5248385 0.88 KMT2A (0.58) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL5129453 0.88 ERCC1 (0.48) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL5115308 0.88 LMNA (0.48) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL5253833 0.88 RAB9A (0.55) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL5251324 0.88 LMNA (0.48) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL5123665 0.88 NPC1 (0.55) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL5119218 0.87 ERCC1 (0.50) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL5139628 0.87 LMNA (0.63) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL5129630 0.87 SMN1; SMN2 (0.50) NPC1RAB9AKDM4ELMNASMN1; SMN2

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

“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.