SCHEMBL633966

SCHEMBL633966

CCOC(=O)c1cc2cccnc2nc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ELANE P08246 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL28912380 0.83 TSHR (0.52) HTTTSHRMAPTALDH1A1MAOA
SCHEMBL8832375 0.82 BRD4 (0.49) HTTPOLBTSHRMAPTALDH1A1
SCHEMBL1680890 0.82 MAOA (0.47) HTTPOLBTSHRMAPTALDH1A1
SCHEMBL250691 0.81 KDM4E (0.48) HTTPOLBTSHRMAPTALDH1A1
SCHEMBL27838090 0.80 TSHR (0.42) HTTPOLBTSHRMAPTALDH1A1
SCHEMBL5297257 0.80 ALDH1A1 (0.58) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL30513503 0.80 AGBL2 (0.45) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL617599 0.79 MAPT (0.49) HTTPOLBTSHRMAPTALDH1A1
SCHEMBL30813138 0.78 KDM4E (0.53) HTTTSHRMAPTALDH1A1MAOA
SCHEMBL123322 0.78 KDM4E (0.53) HTTTSHRMAPTALDH1A1MAOA

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
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI HTT 2886/4885POLB 258/4885TSHR 3875/4885

“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.