SCHEMBL681068

SCHEMBL681068

NC(=O)c1cccc(-c2ccn[nH]2)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SCN4A P35499 1/20 0.47
CTNNB1 P35222 1/20 0.46
IDO1 P14902 1/20 0.44
BRD4 O60885 1/20 0.43
CHEK2 O96017 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
BCAT2 O15382 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
BTK Q06187 2/20 0.38
PARP1 P09874 1/20 0.38
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL4760375 0.80 IDO1 (0.58) NPC1RAB9ASCN4AIDO1BCAT2
SCHEMBL681066 0.80 CTNNB1 (0.56) LTA4HNPC1RAB9ASCN4ACTNNB1
SCHEMBL28081509 0.78 BCAT2 (0.61) NPC1RAB9ACTNNB1BRD4CHEK2
SCHEMBL1101001 0.77 LTA4H (0.47) LTA4HNPC1RAB9ASCN4AIDO1
SCHEMBL16179428 0.76 IDO1 (0.49) SCN4AIDO1CYP4F2CYP4A11BCAT2
SCHEMBL2660490 0.75 CTNNB1 (0.47) NPC1RAB9ACTNNB1BRD4CHEK2
SCHEMBL4789958 0.75 CTNNB1 (0.47) CTNNB1BCAT2MAPK8MAPK10PARP1
SCHEMBL6527107 0.75 BTK (0.48) IDO1BRD4BCAT2MAPK8BTK
SCHEMBL7840196 0.73 IDO1 (0.59) LTA4HNPC1RAB9ASCN4AIDO1
SCHEMBL30231421 0.71 LTA4H (0.60) LTA4HNPC1RAB9ASCN4AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 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 (4 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 LTA4H 535/4885NPC1 3772/4885RAB9A 4083/4885
US-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A LTA4H 2765/4885NPC1 1918/4885RAB9A 968/4885
US-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 LTA4H 535/4885NPC1 3772/4885RAB9A 4083/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 LTA4H 535/4885NPC1 3772/4885RAB9A 4083/4885

“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.