SCHEMBL5129041

SCHEMBL5129041

O=C(NCC1COc2ccccc2O1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ POLB P06746 1/20 0.49
▸ MTNR1A P48039 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ AIMP2 Q13155 4/20 0.46

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
SCHEMBL5128470 0.77 PBK (0.43) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL5255957 0.75 PPARA (0.43) NPC1SMN1; SMN2HPGDTSHRTDP1
SCHEMBL5139628 0.75 LMNA (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5123552 0.74 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL5123518 0.74 HPGD (0.62) SMN1; SMN2HPGDTSHRTDP1ALDH1A1
SCHEMBL5252890 0.74 ROCK2 (0.45) NPC1RAB9ASMN1; SMN2HPGDMTNR1A
SCHEMBL5114712 0.74 POLB (0.53) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL5117550 0.73 ERCC1 (0.46) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5121455 0.72 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL5121846 0.72 KDM4E (0.62) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 NPC1 2830/4885RAB9A 3221/4885SMN1; SMN2 4143/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP NPC1 3019/4885RAB9A 3288/4885SMN1; SMN2 4190/4885

“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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