SCHEMBL4096917

SCHEMBL4096917

COCCNC(=O)c1cnc(On2nnc3ccccc32)c2ccc(C)n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TNKS O95271 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
THRB P10828 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4101651 0.82 POLB (0.44) POLBALOX15
SCHEMBL4097722 0.74 TP53 (0.43) ALDH1A1HPGDTP53HSD17B10TSHR
SCHEMBL13940793 0.67 FBP1 (0.40) HPGDKMT2A
SCHEMBL13940792 0.67 PIM1 (0.49) HPGDTP53KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL4102505 0.67 FBP1 (0.39) HPGD
Hydrochloric Acid SCHEMBL4095397 0.67 PIM1 (0.49) HPGDTP53KMT2ALMNAKDM4E
SCHEMBL13940794 0.66 DHODH (0.43) ALDH1A1HPGDPOLBTP53TSHR
Hydrochloric Acid SCHEMBL4095382 0.65 DHODH (0.43) ALDH1A1HPGDPOLBTP53TSHR
SCHEMBL10299923 0.63 HDAC3 (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL8092305 0.61 HDAC3 (0.55) ALDH1A1SMN1; SMN2POLBTP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
EP-1979358-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2007088168-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed
WO-2007088168-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 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-20090018128-A1 Compounds CNR2, CNR1, TRPV1 ALDH1A1 3762/4885HPGD 486/4885SMN1; SMN2 2207/4885

“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.