SCHEMBL7529685

SCHEMBL7529685

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ ALPL P05186 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ HTT P42858 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL7531220 0.84 TP53 (0.71) TP53ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL7527610 0.82 SMN1; SMN2 (0.65) TP53ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL10576183 0.81 SLC40A1 (0.53) TP53ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL6678848 0.80 LMNA (0.67) ALDH1A1NPSR1SMN1; SMN2LMNAMEN1
SCHEMBL6677229 0.80 VCAM1 (0.60) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12368213 0.79 SMN1; SMN2 (0.67) TP53ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL7529463 0.79 TP53 (0.80) TP53ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL18530465 0.79 SMN1; SMN2 (0.79) TP53ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL12368222 0.78 ALDH1A1 (0.66) TP53ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL6675755 0.77 ALDH1A1 (0.64) ALDH1A1NPSR1SMN1; SMN2LMNAMEN1

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-20020183393-A1 Inhibitors of Rho C ICONIX PHARMACEUTICALS INC. 2002-12-05 — — US disclosed
WO-2002022565-A1 INHIBITORS OF RHO C ICONIX PHARMACEUTICALS, INC. (US) 2002-03-21 — — WO 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-20020183393-A1 Inhibitors of Rho C RHOC, ROCK1, RHOA TP53 4399/4885ALDH1A1 3776/4885NPSR1 267/4885

“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.

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