SCHEMBL7144859

SCHEMBL7144859

Cc1nc(NC(=N)N)sc1C(=O)Nc1cc(OCc2ccccc2)cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CLK1 P49759 1/20 0.39
PDE5A O76074 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
SCHEMBL7140625 1.00 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL7142111 0.93 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL7146957 0.85 ITGB3 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7140471 0.84 ITGB3 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL27491314 0.83 ITGB3 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL7138400 0.79 MEN1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7138388 0.79 MEN1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7140503 0.79 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7140248 0.78 MEN1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7141428 0.78 MEN1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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 MEN1 681/4885KMT2A 4510/4885SMN1; SMN2 3186/4885

“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.