SCHEMBL6134926

SCHEMBL6134926

CCOC(=O)c1ccc(-c2cn3nc(-c4ccc(OC5CCN(C6CCCCC6)CC5)cc4)sc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.46
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 5/20 0.41
KCNH2 Q12809 2/20 0.41
TP53 P04637 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL6134933 0.88 HRH3 (0.48) HRH3CA12CA1CA2CA9
SCHEMBL6134290 0.87 CA12 (0.39) HRH3ALDH1A1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7318099 0.87 F2RL3 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL6135134 0.85 TP53 (0.44) ALDH1A1CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL6132482 0.84 POLB (0.40) ALDH1A1POLBCA12CA1CA2
SCHEMBL6134929 0.83 MKNK1 (0.47) HRH3ALDH1A1POLBKCNH2ADRA1A
Trifluoroacetic Acid SCHEMBL7320929 0.82 ALDH1A1 (0.42) HRH3ALDH1A1POLBCA12CA1
SCHEMBL6133887 0.81 HDAC3 (0.42) HRH3CA12CA1CA2CA9
SCHEMBL6134218 0.81 ALDH1A1 (0.60) HRH3ALDH1A1POLB
SCHEMBL7313043 0.80 TP53 (0.50) ALDH1A1CA12CA1CA2CA9

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 HRH3 1440/4885ALDH1A1 3841/4885POLB 1754/4885

“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.