SCHEMBL7138779

SCHEMBL7138779

COC(=O)c1nc(NC(=N)N)sc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
PKM P14618 2/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
CDK3 Q00526 1/20 0.35
RCE1 Q9Y256 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL16908932 0.87 GAA (0.60) RAB9ANPC1GAANPSR1MEN1
SCHEMBL7142132 0.84 RAB9A (0.39) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL7138811 0.81 NPSR1 (0.38) RAB9ANPC1GAANPSR1KMT2A
SCHEMBL12309834 0.78 RAB9A (0.57) RAB9ANPC1GAANPSR1MEN1
SCHEMBL7143965 0.76 KDM4E (0.64) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL15348877 0.76 NPC1 (0.47) RAB9ANPC1GAAALOX5
SCHEMBL22467996 0.74 RAB9A (0.47) RAB9ANPC1GAANPSR1MEN1
Bromide SCHEMBL9638376 0.73 RAB9A (0.46) RAB9ANPC1GAANPSR1MEN1
SCHEMBL794531 0.73 ALDH1A1 (0.55) RAB9ANPC1GAANPSR1KMT2A
SCHEMBL16417686 0.72 NPSR1 (0.54) RAB9ANPC1GAANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1440/4885NPC1 987/4885GAA 4036/4885

“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.