SCHEMBL7146957

SCHEMBL7146957

Cc1nc(NC(=N)N)sc1C(=O)Nc1cccc(C(=O)NC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 8/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.45
ITGA2 P17301 1/20 0.45
HPGD P15428 1/20 0.44

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
Hydrochloric Acid SCHEMBL7140471 0.99 ITGB3 (0.55) ITGB3ITGA2BALDH1A1SMN1; SMN2HTT
SCHEMBL7140503 0.91 ALDH1A1 (0.49) ITGB3ITGA2BALDH1A1SMN1; SMN2HTT
SCHEMBL7140602 0.87 ALDH1A1 (0.52) ITGB3ITGA2BALDH1A1SMN1; SMN2HTT
SCHEMBL7143661 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL7140625 0.85 MEN1 (0.47) ITGB3ITGA2BALDH1A1SMN1; SMN2HTT
SCHEMBL7144859 0.85 MEN1 (0.47) ITGB3ITGA2BALDH1A1SMN1; SMN2HTT
SCHEMBL7138388 0.84 MEN1 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7138400 0.84 MEN1 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3608807 0.84 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7136613 0.84 ITGB3 (0.51) ITGB3ALDH1A1SMN1; SMN2HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US 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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN 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 ITGB3 7/4885ITGA2B 106/4885ALDH1A1 1400/4885

“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.