SCHEMBL7143605

SCHEMBL7143605

Cc1nc(NC(=N)N)sc1C(=O)NCC(=O)NCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
SCD O00767 1/20 0.44
CSNK1D P48730 3/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KIFC1 Q9BW19 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 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
Hydrochloric Acid SCHEMBL7145352 0.91 KIFC1 (0.44) ALDH1A1LMNASCDITGB3ITGA2B
Hydrochloric Acid SCHEMBL27563744 0.91 KIFC1 (0.44) ALDH1A1LMNASCDITGB3ITGA2B
SCHEMBL7143974 0.87 ALDH1A1 (0.53) ALDH1A1LMNACSNK1DSMN1; SMN2RXFP1
SCHEMBL7140171 0.79 KIFC1 (0.52) ALDH1A1LMNACSNK1DRXFP1KDM4E
SCHEMBL8067783 0.78 KIFC1 (0.42) ALDH1A1LMNASCDITGB3ITGA2B
SCHEMBL7143132 0.77 ITGB3 (0.40) ALDH1A1LMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL8067772 0.77 KIFC1 (0.43) ALDH1A1LMNASCDCSNK1DSMN1; SMN2
SCHEMBL7145275 0.77 ITGB3 (0.49) ALDH1A1LMNASCDCSNK1DITGB3
Hydrochloric Acid SCHEMBL7145741 0.76 ITGB3 (0.49) ALDH1A1LMNASCDCSNK1DITGB3
Hydrochloric Acid SCHEMBL27563741 0.76 KIFC1 (0.39) ALDH1A1LMNASCDCSNK1DITGB3

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 7 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
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 ALDH1A1 1400/4885LMNA 3184/4885SCD 3453/4885

“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.