SCHEMBL13823936

SCHEMBL13823936

Cc1cccc(-c2nc(O)c(O)c(C(=O)NCc3ccco3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 6/20 0.55
HPGD P15428 4/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 3/20 0.52
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
USP2 O75604 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
SCHEMBL13823937 0.85 POLB (0.63) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL5113709 0.84 TSHR (0.54) POLBMAPTLMNATP53CYP1A2
SCHEMBL13824037 0.82 GAA (0.51) MAPTLMNASMN1; SMN2HTTTSHR
SCHEMBL13823951 0.81 GABRG2 (0.51) POLBMAPTALDH1A1HPGDTP53
SCHEMBL5125378 0.81 EGLN1 (0.50) POLBTSHR
SCHEMBL5127665 0.81 MAPT (0.48) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL5114985 0.80 KMT2A (0.47) NPC1MAPTTP53SMN1; SMN2TSHR
SCHEMBL13823949 0.79 POLB (0.46) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL5129059 0.78 MAPT (0.53) NPC1MAPTALDH1A1HPGDLMNA
SCHEMBL5122860 0.78 MAPT (0.44) MAPTLMNATP53SMN1; SMN2TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO 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 (1 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-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ADA, TYMP, ITPA POLB 329/4885NPC1 2298/4885RAB9A 3240/4885

“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.