SCHEMBL6134965

SCHEMBL6134965

O=C(On1nnc2ccccc21)c1ccc(-c2nnc(-c3ccc(N4CCN(Cc5ccncc5)CC4)cc3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC6 Q9UBN7 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HTT P42858 1/20 0.43
FAAH O00519 4/20 0.42
MGLL Q99685 4/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6373698 0.85 HDAC3 (0.49) NPC1RAB9AALDH1A1HDAC6HDAC3
SCHEMBL7324635 0.85 HDAC3 (0.53) NPC1RAB9AALDH1A1HDAC6HDAC3
SCHEMBL6236412 0.84 HDAC3 (0.45) NPC1RAB9AALDH1A1HDAC6HDAC3
SCHEMBL6374827 0.83 HDAC3 (0.48) NPC1RAB9AALDH1A1HDAC6HDAC3
SCHEMBL6132174 0.83 HDAC3 (0.44) NPC1RAB9AALDH1A1HDAC6HDAC3
SCHEMBL6133706 0.82 HDAC3 (0.47) NPC1RAB9AALDH1A1HDAC6HDAC3
SCHEMBL6134003 0.81 HDAC3 (0.47) NPC1RAB9AHDAC6HDAC3HDAC4
SCHEMBL6134745 0.81 CHKA (0.50) ALDH1A1HDAC6HDAC1HTTPOLB
SCHEMBL6134110 0.80 HDAC3 (0.46) NPC1RAB9AHDAC6HDAC3HDAC4
SCHEMBL6238210 0.80 HDAC3 (0.48) NPC1RAB9AALDH1A1HDAC6HDAC3

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 NPC1 1070/4885RAB9A 3326/4885ALDH1A1 3841/4885

“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.