SCHEMBL367794

SCHEMBL367794

C=CCN(CCCCC)NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.41
ZDHHC20 Q5W0Z9 3/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
TSHR P16473 2/20 0.34
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5C P41229 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL28750661 0.83 CA12 (0.40) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1545275 0.83 TSHR (0.38) FAAHZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL29191579 0.81 CA12 (0.42) FAAHTSHRSOAT1MEN1TP53
SCHEMBL3263644 0.81 ALDH1A1 (0.37) TSHRALDH1A1MAPT
SCHEMBL7681528 0.80 FAAH (0.39) FAAHZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL9456807 0.77 CA1 (0.46) ALDH1A1MAPTRAB9ANPSR1KDM5A
SCHEMBL29333 0.75 ZDHHC20 (0.45) FAAHZDHHC20ZDHHC2TSHRSOAT1
Bromide SCHEMBL29169641 0.74 FAAH (0.55) FAAHTSHRMEN1KMT2A
Bromide SCHEMBL29169640 0.74 FAAH (0.55) FAAHTSHRMEN1KMT2A
SCHEMBL11085445 0.74 ZDHHC20 (0.47) FAAHZDHHC20ZDHHC2TSHRSOAT1

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-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof UNIVERSIDAD DEL PAIS VASCO (ES) 2009-12-03 US claimed
EP-1874723-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF Dominion Pharmakine S.L. (ES) 2008-01-09 EP claimed
WO-2006108864-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2006-10-19 WO claimed
US-8097656-B2 Nitrogenated trans-stilbene analogs, method for the obtention and medical applications thereof Dominion Pharmakine S.L (ES) 2012-01-17 US disclosed
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2011-03-10 US disclosed
US-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof UNIVERSIDAD DEL PAIS VASCO (ES) 2009-12-03 US disclosed
EP-1874723-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF Dominion Pharmakine S.L. (ES) 2008-01-09 EP disclosed
WO-2006108864-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2006-10-19 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-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof TNNI3, TNNT2, INMT FAAH 2526/4885ZDHHC20 1549/4885ZDHHC2 1926/4885
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF TNNI3, TNNT2, NOS2 FAAH 2601/4885ZDHHC20 1826/4885ZDHHC2 2449/4885

“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.