SCHEMBL5121647

SCHEMBL5121647

O=C(NC1CCCc2ccccc21)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
TAS1R3 Q7RTX0 6/20 0.50
TAS1R1 Q7RTX1 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TAS1R2 Q8TE23 4/20 0.50
TSHR P16473 3/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 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
SCHEMBL5123213 0.94 TAS1R3 (0.47) HTTTAS1R3TAS1R1ALDH1A1TAS1R2
SCHEMBL5120415 0.94 TAS1R3 (0.47) HTTTAS1R3TAS1R1ALDH1A1TAS1R2
SCHEMBL5129777 0.94 TAS1R3 (0.47) HTTTAS1R3TAS1R1ALDH1A1TAS1R2
SCHEMBL15522335 0.81 HTT (0.57) HTTTAS1R3TAS1R1ALDH1A1TAS1R2
SCHEMBL5114550 0.80 GBA1 (0.47) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL5122846 0.79 TAS1R3 (0.46) HTTTAS1R3TAS1R1ALDH1A1TAS1R2
SCHEMBL5118381 0.79 NAMPT (0.42) ALDH1A1CNR1CNR2KMT2ANPC1
SCHEMBL5139130 0.79 RAB9A (0.57) ALDH1A1TSHRLMNAKMT2ANPC1
SCHEMBL14012899 0.78 TAS1R3 (0.39) HTTTAS1R3TAS1R1ALDH1A1TAS1R2
SCHEMBL5128470 0.76 PBK (0.43) LMNAKMT2ANPC1RAB9AKDM4E

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 HTT 4733/4885TAS1R3 4069/4885TAS1R1 3890/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP HTT 4695/4885TAS1R3 4050/4885TAS1R1 3988/4885

“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.