SCHEMBL3876288

SCHEMBL3876288

Nc1ccc(NC(=S)NC2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.71
LMNA P02545 7/20 0.71
NPSR1 Q6W5P4 2/20 0.71
HTT P42858 6/20 0.70
RAB9A P51151 5/20 0.70
NPC1 O15118 2/20 0.70
ALOX12 P18054 5/20 0.69
POLB P06746 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP3A4 P08684 1/20 0.69
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
MAPT P10636 6/20 0.68
GAA P10253 3/20 0.68
MAPK1 P28482 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
ALDH1A1 P00352 5/20 0.67
PTPN7 P35236 2/20 0.67
EPHX1 P07099 1/20 0.67

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
SCHEMBL28756963 0.91 SMN1; SMN2 (0.83) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL11697622 0.83 NPSR1 (1.00) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL11149053 0.83 SMN1; SMN2 (0.97) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL5455050 0.83 SMN1; SMN2 (0.88) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL23453329 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL23453374 0.81 SMN1; SMN2 (0.71) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL23457320 0.81 SMN1; SMN2 (1.00) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL5447885 0.81 SMN1; SMN2 (0.84) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL31310486 0.80 ALDH1A1 (1.00) SMN1; SMN2LMNANPSR1HTTRAB9A
SCHEMBL9425942 0.80 ALDH1A1 (0.60) SMN1; SMN2LMNANPSR1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560591-B2 Benzamidine derivatives having anti-inflammatory and immunosuppressive activity ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2009-07-14 US disclosed
US-20080207764-A1 Novel Benzamidine Derivatives Having Anti-Inflammatory and Immunosuppressive Activity ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2008-08-28 US disclosed
EP-1363875-B1 NOVEL BENZAMIDINE DERIVATIVES HAVING ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITY ROTTAPHARM SPA (IT) 2008-08-06 EP disclosed
US-20070135523-A1 Novel benzamidine derivatives having anti-inflammatory and immunosuppressive activity ROTTA RESEARCH LABORATORIUM S.P.A 2007-06-14 US disclosed
US-7202277-B2 Benzamidine derivatives having anti-inflammatory and immunosuppressive activity ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2007-04-10 US disclosed
US-20040110801-A1 Novel benzamidine derivatives having anti-inflammatory and immunosuppressive ROTTAPHARM BIOTECH S.R.L. (IT) 2004-06-10 US disclosed
EP-1363875-A2 NOVEL BENZAMIDINE DERIVATIVES HAVING ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2003-11-26 EP disclosed
WO-2002070468-A2 NOVEL BENZAMIDINE DERIVATIVES HAVING ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2002-09-12 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 (3 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-20070135523-A1 Novel benzamidine derivatives having anti-inflammatory and immunosuppressive activity HRH4, HRH3, HRH2 SMN1; SMN2 4509/4885LMNA 4562/4885NPSR1 2187/4885
US-20080207764-A1 Novel Benzamidine Derivatives Having Anti-Inflammatory and Immunosuppressive Activity HRH4, HRH3, HRH2 SMN1; SMN2 4500/4885LMNA 4621/4885NPSR1 2213/4885
US-20040110801-A1 Novel benzamidine derivatives having anti-inflammatory and immunosuppressive HRH4, NAT1, HRH3 SMN1; SMN2 4559/4885LMNA 4423/4885NPSR1 2528/4885

“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.