SCHEMBL15522335

SCHEMBL15522335

O=C(NC1CCCc2ccccc21)c1nc(-c2ccccn2)nc(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
TAS1R3 Q7RTX0 7/20 0.51
TAS1R1 Q7RTX1 7/20 0.51
TAS1R2 Q8TE23 5/20 0.51
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.48
P2RX7 Q99572 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL13824027 0.82 NPC1 (0.54) HTTALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL5121647 0.81 HTT (0.53) HTTALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL13824190 0.81 KDM4E (0.51) HTTALDH1A1LMNAKMT2ANPC1
SCHEMBL13823931 0.81 KDM4E (0.48) ALDH1A1LMNAKDM4E
SCHEMBL13824116 0.80 KDM4E (0.53) HTTALDH1A1LMNANPC1RAB9A
SCHEMBL14082169 0.79 HTT (0.71) HTTALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL5122846 0.78 TAS1R3 (0.46) HTTALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL13729216 0.77 TAS1R3 (0.47) ALDH1A1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL13728247 0.77 RAB9A (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL29563786 0.76 HTT (0.65) HTTALDH1A1TSHRTAS1R3TAS1R1

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 2 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-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 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 (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 HTT 1701/4885ALDH1A1 1277/4885TSHR 2883/4885

“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.