SCHEMBL6487908

SCHEMBL6487908

CC(=O)Nc1cccc(-c2cnc(C(=O)NC3CC4CC3CN4)o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
PTGIR P43119 3/20 0.41
KDM1A O60341 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 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
SCHEMBL6495997 0.90 TUBB4A (0.45) NPC1RAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL6498804 0.88 TP53 (0.40) NPC1RAB9AHDAC1HDAC6TUBB4A
SCHEMBL6496274 0.87 HDAC1 (0.52) HDAC1HDAC6TUBB4ATUBBTUBA3C
SCHEMBL6488205 0.85 FAAH (0.48) HDAC1HDAC6TUBB4ATUBBTUBA3C
SCHEMBL6488963 0.85 HDAC1 (0.53) NPC1RAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL6499153 0.85 FAAH (0.48) HDAC1HDAC6TUBB4ATUBBTUBA3C
SCHEMBL6491489 0.85 FAAH (0.48) HDAC1HDAC6TUBB4ATUBBTUBA3C
SCHEMBL7230137 0.84 NQO2 (0.43) NQO2PTGIRKDM1ANPC1RAB9A
SCHEMBL6488148 0.84 NQO2 (0.43) NQO2PTGIRKDM1ANPC1RAB9A
SCHEMBL6499897 0.84 HDAC6 (0.54) NPC1RAB9ASMN1; SMN2TSHRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 NQO2 43/4885PTGIR 3294/4885KDM1A 2422/4885

“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.