SCHEMBL3868665

SCHEMBL3868665

CCCCC(=O)[N]c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPT P10636 7/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
GAA P10253 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD3 P35462 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
SCHEMBL7441502 0.81 CES2 (0.50) CYP3A4TSHRALDH1A1KDM4EMEN1
SCHEMBL7450293 0.76 CES2 (0.51) LMNACYP3A4TSHRMAPTALDH1A1
SCHEMBL10886180 0.75 MAPT (0.42) LMNACYP1A2CYP3A4TSHRMAPT
SCHEMBL11506938 0.72 HSD17B3 (0.69) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL18806594 0.70 HSD17B3 (0.58) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL18806552 0.70 HSD17B3 (0.58) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL18806571 0.70 HSD17B3 (0.58) LMNACYP1A2CYP3A4TSHRCYP2C9
Octadecanoic Acid Amide SCHEMBL9387430 0.69 SOAT1 (0.57) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL1553413 0.69 CES2 (0.47) CYP3A4CYP2C19MAPTNPC1RAB9A
Dodecanoate SCHEMBL8366235 0.68 GPR84 (0.68) LMNACYP1A2TSHRCYP2C9CYP2C19

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 7 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
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 LMNA 4562/4885CYP1A2 484/4885CYP3A4 379/4885
US-20080207764-A1 Novel Benzamidine Derivatives Having Anti-Inflammatory and Immunosuppressive Activity HRH4, HRH3, HRH2 LMNA 4621/4885CYP1A2 493/4885CYP3A4 395/4885
US-20040110801-A1 Novel benzamidine derivatives having anti-inflammatory and immunosuppressive HRH4, NAT1, HRH3 LMNA 4423/4885CYP1A2 795/4885CYP3A4 576/4885

“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.