SCHEMBL837892

SCHEMBL837892

COCCOc1cccc(C)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 4/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
RECQL P46063 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 5/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 3/20 0.41
KAT2B Q92831 1/20 0.40

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
SCHEMBL11088615 0.96 ALDH1A1 (0.50) ALDH1A1TDP1HPGDPOLBTSHR
SCHEMBL27236467 0.92 ALDH1A1 (0.53) ALDH1A1TDP1HPGDPOLBTSHR
SCHEMBL23352311 0.90 NPC1 (0.53) ALDH1A1TDP1HPGDPOLBRAB9A
SCHEMBL25435457 0.87 SMN1; SMN2 (0.50) ALDH1A1TDP1HPGDPOLBRAB9A
SCHEMBL13476222 0.86 ALDH1A1 (0.56) ALDH1A1TDP1HPGDPOLBTSHR
SCHEMBL877094 0.84 ALDH1A1 (0.55) ALDH1A1TDP1HPGDPOLBTSHR
SCHEMBL13476249 0.84 ALDH1A1 (0.55) ALDH1A1TDP1HPGDPOLBTSHR
SCHEMBL8917747 0.84 ALDH1A1 (0.55) ALDH1A1TDP1HPGDPOLBTSHR
SCHEMBL3372774 0.84 NPC1 (0.60) ALDH1A1TDP1HPGDTSHRRAB9A
SCHEMBL2060423 0.83 NPC1 (0.46) ALDH1A1TDP1HPGDPOLBRAB9A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
EP-1663184-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-07 EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 WO disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 US disclosed
US-4451285-A Herbicidal 2-haloacetanilides MONSANTO COMPANY (US) 1984-05-29 US disclosed
US-4332614-A HALOACETANILIDE ETHERS MONSANTO COMPANY (US) 1982-06-01 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-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD ALDH1A1 2543/4885TDP1 392/4885HPGD 168/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD ALDH1A1 2543/4885TDP1 392/4885HPGD 168/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD ALDH1A1 2543/4885TDP1 392/4885HPGD 168/4885

“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.