SCHEMBL4564977

SCHEMBL4564977

CCCCCOc1cc(C)nc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.58
POLB P06746 2/20 0.57
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TLR8 Q9NR97 3/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL11099815 0.89 NUDT1 (0.62) NUDT1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2990823 0.83 CDK1 (0.46) NUDT1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL22930422 0.83 NUDT1 (0.60) NUDT1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL18134205 0.82 NUDT1 (0.66) NUDT1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL10752783 0.81 NUDT1 (0.60) NUDT1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL19890949 0.81 MAPT (0.48) NUDT1POLBSMN1; SMN2TLR8ALDH1A1
SCHEMBL9340530 0.80 CDK1 (0.43) NPC1RAB9ATLR8ALDH1A1KMT2A
SCHEMBL10398846 0.79 CDK1 (0.43) NUDT1POLBNPC1RAB9ATLR8
SCHEMBL2457239 0.79 ALDH1A1 (0.49) NUDT1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL18005314 0.78 ALDH1A1 (0.46) POLBNPC1RAB9ASMN1; SMN2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B NUDT1 1933/4885POLB 1520/4885NPC1 2993/4885

“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.