SCHEMBL14008397

SCHEMBL14008397

CC(=O)c1ccc2c(c1)C(C)(C)N(O)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PDK2 Q15119 1/20 0.41
CYP2A6 P11509 1/20 0.39
HSD17B1 P14061 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PRKCI P41743 1/20 0.37
S100A4 P26447 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
RXRG P48443 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1156918 0.85 RARB (0.47) RAB9ANPC1RXRARXRBMAPK1
SCHEMBL14106675 0.83 KDM4E (0.42) PDK2ALDH1A1
SCHEMBL10222462 0.80 RXRA (0.34) RXRARXRBMAPK1ALDH1A1RARB
SCHEMBL10272144 0.80 ATM (0.42) MAPTRAB9ANPC1L3MBTL1HPGD
SCHEMBL14172876 0.79 GSK3B (0.46) RXRARXRBRARBRARGRXRG
SCHEMBL996479 0.74 MAPT (0.46) MAPTRAB9ANPC1PDK2CYP2A6
SCHEMBL19075863 0.73 PDK2 (0.51) MAPTRAB9ANPC1PDK2CYP2A6
SCHEMBL4422379 0.73 RXRA (0.53) MAPTRAB9ANPC1RXRARXRB
SCHEMBL2195224 0.73 RXRA (0.66) RAB9ANPC1RXRARXRBMAPK1
SCHEMBL14392370 0.73 GAA (0.35) RXRAALDH1A1RARBRARGLMNA

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-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB YISSUM RESEARCH DEVELOPMENT COMPANY OF HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-06-26 US disclosed
WO-2007126609-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-11-08 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-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB ADRA2B, ADRA1B, ADRB1 MAPT 4505/4885RAB9A 1497/4885NPC1 1602/4885
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 MAPT 2334/4885RAB9A 3303/4885NPC1 1458/4885

“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.