SCHEMBL6777206

SCHEMBL6777206

COc1ccc2c(O)c(-c3ccccc3)ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSP90AA1 P07900 1/20 0.44
BACE1 P56817 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 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
SCHEMBL2430190 0.91 NPC1 (0.53) NPC1RAB9ANCOA1NCOA3CYP11B1
SCHEMBL13594641 0.82 NPC1 (0.53) NPC1RAB9ANCOA1NCOA3CYP11B1
SCHEMBL15712848 0.75 BCHE (0.56) NPC1RAB9ACYP11B1CYP11B2KDM4E
SCHEMBL2493258 0.74 NPC1 (0.53) NPC1RAB9ANCOA1NCOA3CYP11B1
SCHEMBL2430174 0.74 NPC1 (0.53) NPC1RAB9ANCOA1NCOA3CYP11B1
SCHEMBL2425567 0.74 NPC1 (0.53) NPC1RAB9ANCOA1NCOA3CYP11B1
SCHEMBL2433447 0.74 NPC1 (0.53) NPC1RAB9ANCOA1NCOA3CYP11B1
SCHEMBL3168976 0.72 CYP1A2 (0.49) NPC1RAB9ACYP11B1CYP11B2KDM4E
SCHEMBL10783965 0.72 SMN1; SMN2 (0.53) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL9939347 0.72 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723736-B2 FOR THERAPY INFLAMMATION, INFLAMMATORY DISEASES, IMMUNOLOGIC DISEASES AND OTHER DISEASES MEDIATED BY TUMOR NECROSIS FACTOR-ALPHA (TNF-ALPHA) AND/OR INTERLEUKIN 6 OR 10 AND/OR ENZYME CYCLOOXYGENASE-2 (COX-2) THERACOS, INC. 2004-04-20 US claimed
US-20020077333-A1 Tricyclic compounds and uses thereof THERACOS, INC. 2002-06-20 US claimed

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-20020077333-A1 Tricyclic compounds and uses thereof IL6, TNF, IL2 NPC1 2317/4885RAB9A 4100/4885NCOA1 574/4885

“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.