SCHEMBL917824

SCHEMBL917824

O=C(O)CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 1/20 0.52

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
SCHEMBL918146 1.00 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL4231048 0.99 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL2001911 0.95 MEN1 (0.63) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL4234495 0.89 RAB9A (0.66) SMN1; SMN2RAB9AMEN1KMT2AKDM4E
SCHEMBL917183 0.86 HDAC1 (0.65) SMN1; SMN2RAB9AMEN1KMT2AKDM4E
SCHEMBL13486978 0.85 POLB (0.67) SMN1; SMN2RAB9AMEN1KMT2AHSD17B10
SCHEMBL8083585 0.84 POLB (0.69) SMN1; SMN2RAB9AMEN1KMT2AHSD17B10
SCHEMBL916697 0.83 ALDH1A1 (0.52) MEN1KMT2AKDM4EPOLBPKM
SCHEMBL1573660 0.83 ACHE (0.57) POLB
SCHEMBL8095237 0.83 ACHE (0.57) POLB

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-20110003878-A1 NOVEL DERIVATIVES OF PHTHALIMIDE AS HISTONE DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2011-01-06 US disclosed
US-20090215814-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-08-27 US disclosed
EP-2045239-A1 NOVEL DERIVATIVES OF PHTHALIMIDE AS HISTONE DEACETYLASE INHIBITORS Universidad De Granada (ES) 2009-04-08 EP disclosed
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-04-05 US disclosed
US-7148352-B2 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-12-12 US disclosed
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding MINE SAFETY APPLIANCES COMPANY 2003-10-02 US disclosed
US-6468990-B1 ADMINISTERING COMPOUNDS HAVING ELECTRONEGATIVE GROUPS WHICH INTERACT WITH CERTAIN LYSINE RESIDUES IN NERVE GROWTH FACTOR AND/OR HYDROPHOBIC MOIETY WHICH INTERACTS WITH HYDROPHOBIC REGION FORMED BY CERTAIN ISOLEUCINE AND PHENYLALANINE RESIDUES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-22 US 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 (4 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-20090215814-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF SMN1; SMN2 707/4885RAB9A 3720/4885MEN1 3489/4885
US-20110003878-A1 NOVEL DERIVATIVES OF PHTHALIMIDE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC11 SMN1; SMN2 2910/4885RAB9A 3178/4885MEN1 2731/4885
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF SMN1; SMN2 707/4885RAB9A 3720/4885MEN1 3489/4885
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF SMN1; SMN2 708/4885RAB9A 4136/4885MEN1 3799/4885

“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.