SCHEMBL3589502

SCHEMBL3589502

CCOC(=O)c1cc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n(C)c1-c1c(C)cc(C)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 6/20 0.40
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
COMT P21964 1/20 0.35
AR P10275 1/20 0.35
HPGD P15428 2/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNMA1 Q12791 1/20 0.34
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1446983 0.84 COMT (0.40) MAPTALDH1A1POLBLMNANPC1
SCHEMBL3586613 0.78 ALDH1A1 (0.44) MAPTALDH1A1POLBLMNAHPGD
SCHEMBL3586774 0.77 COMT (0.41) MAPTALDH1A1COMTHPGDMEN1
SCHEMBL3588241 0.76 MAPT (0.40) MAPTALDH1A1NPC1COMTAR
SCHEMBL1447238 0.73 MAPT (0.38) MAPTALDH1A1POLBLMNANPC1
SCHEMBL3587266 0.73 ALDH1A1 (0.38) MAPTALDH1A1POLBLMNAHPGD
SCHEMBL3584510 0.73 ALDH1A1 (0.36) MAPTALDH1A1POLBLMNANPC1
SCHEMBL1446919 0.72 MAPT (0.36) MAPTALDH1A1POLBLMNANPC1
SCHEMBL1446969 0.71 ALDH1A1 (0.36) MAPTALDH1A1POLBLMNAAR
SCHEMBL27713236 0.71 COMT (0.43) MAPTALDH1A1LMNACOMTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 MAPT 310/4885ALDH1A1 1070/4885POLB 3382/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MAPT 310/4885ALDH1A1 1070/4885POLB 3382/4885

“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.