SCHEMBL5123340

SCHEMBL5123340

CCN(CC)Cc1ccc(-c2nc(O)c(O)c(C(=O)NCc3ccc(C)c(C)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.42
HSP90AB1 P08238 5/20 0.42
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TPH1 P17752 1/20 0.38
ACVR1 Q04771 1/20 0.38
BCHE P06276 2/20 0.38
HTR2C P28335 1/20 0.37
MCHR1 Q99705 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5124154 0.91 HSP90AA1 (0.45) HSP90AA1HSP90AB1HDAC8HDAC6ACVR1
SCHEMBL5119851 0.90 NR1H4 (0.43) HSP90AA1HSP90AB1NR1H4NPC1HDAC6
SCHEMBL5119304 0.86 HTR2C (0.46) HSP90AA1HSP90AB1HDAC8HDAC6ACVR1
SCHEMBL5127327 0.82 WDR5 (0.41) HSP90AA1HSP90AB1BCHE
SCHEMBL5121590 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1ACVR1TP53MAPT
SCHEMBL5129298 0.80 KLKB1 (0.45) HSP90AA1HSP90AB1NPC1HDAC6TP53
SCHEMBL5122020 0.80 HSP90AA1 (0.44) HSP90AA1HSP90AB1NPC1HDAC6TP53
SCHEMBL5114965 0.79 KMT2A (0.46) HSP90AA1HSP90AB1HDAC8HDAC6
SCHEMBL5118745 0.79 HDAC4 (0.49) HSP90AA1HSP90AB1HDAC6
SCHEMBL5129405 0.78 TP53 (0.53) TP53MAPT

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 HSP90AA1 2963/4885HSP90AB1 2871/4885NR1H4 3138/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP HSP90AA1 2924/4885HSP90AB1 2867/4885NR1H4 3154/4885

“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.