SCHEMBL5139130

SCHEMBL5139130

O=C(NC1CCCCC1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
ALDH1A1 P00352 7/20 0.55
HPGD P15428 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL5114550 0.85 GBA1 (0.47) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL5121647 0.79 HTT (0.53) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL5118058 0.79 EPHX2 (0.47) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL5120415 0.78 TAS1R3 (0.47) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL5123213 0.78 TAS1R3 (0.47) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL5129777 0.78 TAS1R3 (0.47) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL13824116 0.77 KDM4E (0.53) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL11620413 0.76 ALDH1A1 (0.62) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL5121410 0.76 ERCC1 (0.50) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL5118381 0.76 NAMPT (0.42) MEN1KMT2ANPC1ALDH1A1KDM4E

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 RAB9A 3221/4885MEN1 4445/4885KMT2A 914/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP RAB9A 3288/4885MEN1 4519/4885KMT2A 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.