SCHEMBL4038964

SCHEMBL4038964

Cc1cc(F)ccc1-c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)NCc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
TRPA1 O75762 11/20 0.41
LMNA P02545 2/20 0.41
XIAP P98170 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.38
RORC P51449 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
SCHEMBL4039085 0.92 ATM (0.45) ATMTRPA1LMNAL3MBTL1TP53
SCHEMBL3820156 0.88 LMNA (0.43) ATMTRPA1LMNAXIAPL3MBTL1
SCHEMBL3825818 0.84 XIAP (0.40) ATMTRPA1LMNAXIAPL3MBTL1
SCHEMBL4840572 0.83 LMNA (0.41) TRPA1LMNAXIAPTP53RORC
SCHEMBL4842724 0.82 TRPA1 (0.40) TRPA1LMNAXIAPTP53RORC
SCHEMBL4031790 0.81 TRPA1 (0.46) ALDH1A1MAPTTRPA1LMNARORC
SCHEMBL4841061 0.80 ATM (0.45) ATMTRPA1LMNAL3MBTL1TP53
SCHEMBL4837872 0.80 MMP8 (0.45) ALDH1A1LMNAL3MBTL1
SCHEMBL4032871 0.79 LMNA (0.39) MAPK1ATMTRPA1LMNAXIAP
SCHEMBL4033992 0.79 RAB9A (0.44) ALDH1A1MAPTATMTRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 ALDH1A1 1819/4885MAPT 763/4885MAPK1 870/4885

“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.