Aniline

Aniline

SCHEMBL7181871

Nc1ccccc1.O=C(O)CC(NC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)C(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.46
ROCK1 Q13464 7/20 0.46
ITGB3 P05106 6/20 0.44
ITGAV P06756 6/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
MDM2 Q00987 2/20 0.39
CHEK1 O14757 1/20 0.39
ENPP2 Q13822 1/20 0.38
PIN1 Q13526 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 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
SCHEMBL7137156 0.95 ROCK2 (0.49) ROCK2ROCK1ITGB3ITGAVGAA
SCHEMBL7137153 0.95 ROCK2 (0.49) ROCK2ROCK1ITGB3ITGAVGAA
Trifluoroacetic Acid SCHEMBL7143711 0.90 ROCK1 (0.45) ROCK2ROCK1ITGB3ITGAVGAA
SCHEMBL7146616 0.89 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7146622 0.89 ROCK2 (0.48) ROCK2ROCK1ITGB3ITGAVITGB1
SCHEMBL7145301 0.85 ITGB3 (0.44) ROCK2ROCK1ITGB3ITGAVGAA
SCHEMBL7141416 0.85 ROCK2 (0.45) ROCK2ROCK1ITGB3ITGAVMAPT
SCHEMBL7143967 0.84 ROCK2 (0.43) ROCK2ROCK1ITGB3ITGAVMAPK1
SCHEMBL7143971 0.84 ROCK2 (0.43) ROCK2ROCK1ITGB3ITGAVMAPK1
Trifluoroacetic Acid SCHEMBL7146544 0.84 ROCK1 (0.44) ROCK2ROCK1ITGB3ITGAVITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP claimed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US claimed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ROCK2 180/4885ROCK1 62/4885ITGB3 7/4885

“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.