SCHEMBL5029941

SCHEMBL5029941

NCc1cc(CNc2nc3ccccc3[nH]2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ TP53 P04637 2/20 0.60
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GAA P10253 1/20 0.51
▸ ADA P00813 1/20 0.47
▸ GFER P55789 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ TRPC3 Q13507 1/20 0.45
▸ TRPC4 Q9UBN4 1/20 0.45
▸ TRPC5 Q9UL62 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL3593419 0.76 RAB9A (1.00) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329340 0.76 RAB9A (1.00) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL3236154 0.74 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL2028202 0.74 RAB9A (0.71) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL5879594 0.72 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329347 0.72 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329353 0.72 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL27915818 0.72 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL15416993 0.72 RAB9A (0.82) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329346 0.72 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 — — US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 — — EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 — — EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 — — EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 — — WO 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B RAB9A 1185/4885SMN1; SMN2 4254/4885TP53 3330/4885

“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.

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