SCHEMBL2372353

SCHEMBL2372353

COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
LMNA P02545 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 3/20 0.64
AKR1C3 P42330 1/20 0.60
NAMPT P43490 1/20 0.60
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 2/20 0.59
RAB9A P51151 1/20 0.59
GFER P55789 1/20 0.59
HSP90AA1 P07900 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.57
ALOX15 P16050 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PARP14 Q460N5 1/20 0.57

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
SCHEMBL27569658 0.86 NAMPT (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL13257660 0.86 ALDH1A1 (0.77) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL24158074 0.81 LMNA (0.85) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL16276058 0.80 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL19479126 0.80 ALDH1A1 (0.83) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9512958 0.79 DRD2 (0.60) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL10144128 0.78 PARP14 (0.77) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7163568 0.78 ALDH1A1 (0.80) ALDH1A1LMNAMEN1KMT2AAKR1C3
Hydrochloric Acid SCHEMBL9513158 0.78 DRD2 (0.59) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL15506274 0.77 ALDH1A1 (0.76) ALDH1A1LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113904-A1 MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF A DISEASE ASSOCIATED WITH RETINAL GANGLION CELL DEGENERATION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-09-22 WO claimed
WO-2011113904-A1 MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF A DISEASE ASSOCIATED WITH RETINAL GANGLION CELL DEGENERATION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-09-22 WO disclosed
US-20090041806-A1 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2009-02-12 US disclosed
WO-2008157408-A2 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2008-12-24 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 (1 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-20090041806-A1 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY GABBR2, GABBR1, GABRB2 ALDH1A1 2011/4885LMNA 4067/4885MEN1 3951/4885

“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.