SCHEMBL6134951

SCHEMBL6134951

COc1ccc(N2CCC(Oc3ccc(-c4nn5cc(-c6ccc(C(=O)O)cc6)nc5s4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 16/20 0.47
THRB P10828 3/20 0.46
F2RL3 Q96RI0 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6134517 0.92 TP53 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL6134854 0.85 TP53 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL7313043 0.84 TP53 (0.50) CA12CA1CA2CA9F2RL3
SCHEMBL6132626 0.84 TP53 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL6133896 0.84 TP53 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL6134575 0.83 TP53 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL6135271 0.83 CSNK2A2 (0.53) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6135134 0.83 TP53 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL6134879 0.83 HDAC3 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL6134933 0.82 HRH3 (0.48) CA12CA1CA2CA9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 CA12 3234/4885CA1 2356/4885CA2 1899/4885

“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.