SCHEMBL1243828

SCHEMBL1243828

CC1(C)OCCO1.CCc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CTSB P07858 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
EIF4A1 P60842 1/20 0.39

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
SCHEMBL2557500 0.87 ALDH1A1 (0.60) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL196341 0.80 MAPT (0.49) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL19754000 0.78 MAPK1 (0.50) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL3387313 0.77 ALDH1A1 (0.55) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL28068351 0.77 ALDH1A1 (0.62) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL479085 0.76 HTT (0.49) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL27882095 0.75 ALDH1A1 (0.60) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL28428327 0.75 ALDH1A1 (0.60) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL6589180 0.75 HTT (0.63) HTTTP53ALDH1A1CYP3A4ALOX15
SCHEMBL3391556 0.75 ALDH1A1 (0.53) HTTTP53ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121665-B1 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-22 EP disclosed
US-7880014-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO INC. (US) 2010-06-17 US disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 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 (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-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN HTT 3688/4885TP53 4151/4885ALDH1A1 3538/4885
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN HTT 3750/4885TP53 4354/4885ALDH1A1 3676/4885

“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.