SCHEMBL6154627

SCHEMBL6154627

CCOc1cc(CNC2CCC2)ccc1OC

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
MITF O75030 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OPRK1 P41145 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
SCHEMBL3931762 0.88 KMT2A (0.52) KMT2AMEN1SMN1; SMN2MITFALDH1A1
SCHEMBL8316562 0.87 KMT2A (0.62) KMT2AMEN1SMN1; SMN2MITFALDH1A1
SCHEMBL11684508 0.85 MEN1 (0.74) KMT2AMEN1MITFALDH1A1KDM4E
SCHEMBL11684541 0.85 MEN1 (0.74) KMT2AMEN1MITFALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11685219 0.84 MEN1 (0.73) KMT2AMEN1MITFALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11685544 0.84 MEN1 (0.73) KMT2AMEN1MITFALDH1A1KDM4E
SCHEMBL696157 0.84 MEN1 (0.64) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL89815 0.80 MEN1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11684516 0.80 KMT2A (0.58) KMT2AMEN1SMN1; SMN2MITFALDH1A1
SCHEMBL17099881 0.78 KMT2A (0.52) KMT2AMEN1SMN1; SMN2MITFALDH1A1

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-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same KELLEHER JUDITH A (US) 2005-06-09 US disclosed
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP disclosed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US disclosed
US-6441032-B1 TREATING SYSTEMIC LUPIS AND MULTIPLE SCLEROSIS CENTAUR PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-6433008-B1 TREATING PARKINSON*S, ALZHEIMER*S, AUTOIMMUNE AND RHEUMATIC DISEASES; HUMAN IMMUNODEFICIENCY VIRUS (HIV) DEMENTIA, AND INFLAMMATION CENTAUR PHARMACEUTICALS, INC. 2002-08-13 US disclosed
EP-1025079-A1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-08-09 EP disclosed
US-6046232-A THERAPEUTICS FOR TREATING AND/OR PREVENTING NEUROLOGICAL, AUTOIMMUNE AND INFLAMMATORY CONDITIONS IN MAMMALS AND AS ANALYTICAL REAGENTS FOR DETECTING FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-04 US disclosed
WO-1999020601-A1 α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-29 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-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA KMT2A 4081/4885MEN1 2880/4885SMN1; SMN2 184/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA KMT2A 3999/4885MEN1 3044/4885SMN1; SMN2 120/4885

“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.