SCHEMBL6479387

SCHEMBL6479387

COC(=O)c1ccc2cc(C#N)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.49
CREBBP Q92793 1/20 0.47
CYP2A6 P11509 1/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
XDH P47989 1/20 0.42
LCK P06239 1/20 0.42
PTPN11 Q06124 1/20 0.41
PLAU P00749 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GLA P06280 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 5/20 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
SCHEMBL6479786 0.88 TP53 (0.48) PSMB8CREBBPCYP2A6CA12CA1
SCHEMBL24138804 0.83 CYP2A6 (0.50) CYP2A6CA12CA9MEN1KMT2A
SCHEMBL6478832 0.81 CYP2A6 (0.51) CYP2A6CA12CA1CA2CA7
SCHEMBL28125379 0.78 PSMB8 (0.54) PSMB8CREBBPCA12CA1CA2
SCHEMBL6090295 0.78 PSMB8 (0.54) PSMB8CREBBPCA12CA1CA2
SCHEMBL28375846 0.77 PSMB8 (0.52) PSMB8CREBBPCA12CA1CA2
SCHEMBL19029197 0.77 PSMB8 (0.52) PSMB8CREBBPCA12CA1CA2
SCHEMBL31108949 0.77 PSMB8 (0.52) PSMB8CREBBPCA12CA1CA2
SCHEMBL24139201 0.77 GSK3B (0.49) CYP2A6CA9HDAC1KDM4EALDH1A1
SCHEMBL24176863 0.77 CYP2A6 (0.46) CYP2A6CA9MEN1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (2 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 PSMB8 3719/4885CREBBP 2664/4885CYP2A6 159/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 PSMB8 3719/4885CREBBP 2664/4885CYP2A6 159/4885

“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.