SCHEMBL5378778

SCHEMBL5378778

CC(C)(C)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
NPC1 O15118 8/20 0.70
MAPT P10636 5/20 0.70
MCL1 Q07820 1/20 0.70
ATM Q13315 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 2/20 0.70
MMP2 P08253 4/20 0.67
MMP9 P14780 4/20 0.67
MMP8 P22894 4/20 0.67
MMP13 P45452 4/20 0.67
GFER P55789 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL7908000 0.88 RAB9A (0.84) RAB9ANPC1MAPTMCL1ATM
SCHEMBL3202508 0.87 RAB9A (0.70) RAB9ANPC1MAPTMCL1ATM
SCHEMBL16894054 0.86 RAB9A (0.69) RAB9ANPC1MAPTMCL1ATM
SCHEMBL5716705 0.86 RAB9A (0.56) RAB9ANPC1MAPTMCL1ATM
SCHEMBL5716710 0.86 RAB9A (0.56) RAB9ANPC1MAPTMCL1ATM
SCHEMBL2245219 0.85 MMP2 (0.85) RAB9ANPC1MAPTMCL1ATM
SCHEMBL6170277 0.84 MEN1 (0.60) RAB9ANPC1MAPTMCL1ATM
SCHEMBL4510136 0.84 RAB9A (0.65) RAB9ANPC1MAPTMCL1ATM
SCHEMBL4146732 0.83 RAB9A (0.76) RAB9ANPC1MAPTMCL1ATM
SCHEMBL16894051 0.83 RAB9A (0.76) RAB9ANPC1MAPTMCL1ATM

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-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION UNIVERSITY OF HOUSTON SYSTEM 2023-07-27 US disclosed
US-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION UNIVERSITY OF HOUSTON SYSTEM 2023-07-27 US disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 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 (3 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-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION PTGES, PTGES2, PTGES3 RAB9A 4016/4885NPC1 1269/4885MAPT 810/4885
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD RAB9A 2271/4885NPC1 59/4885MAPT 1786/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD RAB9A 2063/4885NPC1 74/4885MAPT 1984/4885

“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.