SCHEMBL2955845

SCHEMBL2955845

COc1ccc(CC(C)NO)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.58
ALOX15 P16050 3/20 0.58
ALOX12 P18054 3/20 0.58
CA2 P00918 1/20 0.53
KDM1A O60341 1/20 0.52
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACACB O00763 1/20 0.51
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
STAT3 P40763 1/20 0.49
ATM Q13315 1/20 0.49
SLC6A4 P31645 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
SCHEMBL2959285 0.87 FOS (0.71) ALOX15ALOX12FOSTTRJUN
SCHEMBL8828295 0.84 CA2 (0.60) LDHAALOX15ALOX12CA2KDM1A
SCHEMBL30559576 0.84 CA2 (0.60) LDHAALOX15ALOX12CA2KDM1A
SCHEMBL1026086 0.84 CA2 (0.60) LDHAALOX15ALOX12CA2KDM1A
SCHEMBL1023836 0.84 CA2 (0.60) LDHAALOX15ALOX12CA2KDM1A
Hydrochloric Acid SCHEMBL23524379 0.83 CA2 (0.58) LDHAALOX15ALOX12CA2KDM1A
SCHEMBL11080689 0.83 LDHA (0.54) LDHAALOX15ALOX12CA2KDM1A
SCHEMBL13748410 0.81 SIGMAR1 (0.54) LDHAALOX15ALOX12CA2KDM1A
SCHEMBL9119369 0.81 KMT2A (0.70) LDHAALOX15ALOX12CA2KDM1A
SCHEMBL9119354 0.81 KMT2A (0.70) LDHAALOX15ALOX12CA2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692096-B1 HYDROXYLAMINE DERIVATIVES NEWRON PHARM SPA (IT) 2013-04-03 EP claimed
US-20100197799-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-05 US claimed
US-20070049643-A1 Hydroxylamine derivatives VICURON PHARMACEUTICALS INC. 2007-03-01 US claimed
EP-1692096-A1 HYDROXYLAMINE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-23 EP claimed
WO-2005058800-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-30 WO claimed
EP-1541547-A1 Hydroxylamine derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-15 EP claimed
EP-1692096-B1 HYDROXYLAMINE DERIVATIVES NEWRON PHARM SPA (IT) 2013-04-03 EP disclosed
US-20100197799-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-05 US disclosed
US-7763751-B2 Hydroxylamine derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-07-27 US disclosed
US-20070049643-A1 Hydroxylamine derivatives VICURON PHARMACEUTICALS INC. 2007-03-01 US disclosed
EP-1692096-A1 HYDROXYLAMINE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-23 EP disclosed
WO-2005058800-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-30 WO disclosed
EP-1541547-A1 Hydroxylamine derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-15 EP 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-20100197799-A1 HYDROXYLAMINE DERIVATIVES C9, C1S, HTT LDHA 3208/4885ALOX15 3845/4885ALOX12 3814/4885
US-20070049643-A1 Hydroxylamine derivatives C9, C1S, HTT LDHA 3199/4885ALOX15 3665/4885ALOX12 3652/4885

“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.