SCHEMBL5025569

SCHEMBL5025569

NCCCCNC(=S)Nc1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 3/20 0.48
NCOR2 Q9Y618 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL5025328 0.98 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL5411991 0.83 HDAC3 (0.51) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL3013357 0.79 KMT2A (0.64) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3232775 0.79 HDAC1 (0.49) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7217485 0.78 CA1 (0.51) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL3224292 0.78 HDAC1 (0.48) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL15224205 0.75 KMT2A (0.68) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7494597 0.72 MAPT (0.52) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL4322685 0.72 MAPK1 (0.58) SMN1; SMN2KMT2AMAPTNPC1CYP1A2
SCHEMBL13568860 0.72 HDAC3 (0.47) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2

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 11 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
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 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
US-20040063934-A1 Integrin ligands ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-01 US disclosed
EP-1307443-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
EP-1289962-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002014320-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
WO-2001096312-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2001-12-20 WO 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 (2 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-20040063934-A1 Integrin ligands ITGB3, ITGAV, ITGAL SMN1; SMN2 3051/4885MEN1 4388/4885KMT2A 4601/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B SMN1; SMN2 4254/4885MEN1 4463/4885KMT2A 4698/4885

“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.