SCHEMBL16181522

SCHEMBL16181522

COc1ccc(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
CA2 P00918 1/20 0.56
CTSD P07339 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP2D6 P10635 1/20 0.50
TTR P02766 1/20 0.50
SNCA P37840 1/20 0.50
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL16181222 0.92 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CA2CTSD
SCHEMBL3645769 0.85 ALDH1A1 (0.59) CYP1A2CYP3A4CYP2C19SMN1; SMN2NPC1
SCHEMBL7029549 0.81 NPC1 (0.45) CYP1A2CYP3A4CYP2C19CTSDSMN1; SMN2
SCHEMBL16233087 0.79 SMN1; SMN2 (0.61) CYP1A2CYP2C19CA2SMN1; SMN2ALDH1A1
SCHEMBL124590 0.79 ALDH1A1 (0.63) CYP1A2CYP3A4CYP2C19SMN1; SMN2NPC1
SCHEMBL16181224 0.78 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2C19SMN1; SMN2NPC1
SCHEMBL4043187 0.77 ALDH1A1 (0.57) CYP1A2CYP3A4CYP2C19SMN1; SMN2NPC1
SCHEMBL12682376 0.77 CA2 (0.73) CYP1A2CYP3A4CYP2C19CA2SMN1; SMN2
SCHEMBL12978933 0.76 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2C19CTSDSMN1; SMN2
SCHEMBL66837 0.76 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2C19SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2017-01-26 US disclosed
US-9334251-B2 Compounds for the treatment of neurodegenerative diseases PROTAMED, INC. (US) 2016-05-10 US disclosed
US-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PROTEOTECH INC. (US) 2015-10-01 US disclosed
US-9085549-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC (US) 2015-07-21 US disclosed
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2015-01-08 US disclosed
US-8865754-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2014-10-21 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 (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-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PSEN1, PSEN2, GRN CYP1A2 4821/4885CYP3A4 4813/4885CYP2C19 4436/4885
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases SNCA, MAPT, PARK7 CYP1A2 4662/4885CYP3A4 4520/4885CYP2C19 4651/4885
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN CYP1A2 4821/4885CYP3A4 4813/4885CYP2C19 4436/4885

“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.