SCHEMBL1265629

SCHEMBL1265629

COc1ccc(CN(C(=O)O)c2ccc([N+](=O)[O-])c(NC(C)c3cccnc3)n2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
GAA P10253 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
POLB P06746 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
MAPK1 P28482 3/20 0.37
CYP2D6 P10635 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1265634 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL1265336 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL1265335 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL3830667 0.84 MAPT (0.42) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL1265350 0.82 CYP1A2 (0.51) ALDH1A1MAPTNPC1SMN1; SMN2LMNA
SCHEMBL1265347 0.82 CYP1A2 (0.51) ALDH1A1MAPTNPC1SMN1; SMN2LMNA
SCHEMBL3830662 0.79 POLB (0.43) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL1266596 0.79 KDM4E (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL1266597 0.79 KDM4E (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL3834871 0.76 MAPT (0.39) ALDH1A1MAPTNPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 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 (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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 ALDH1A1 298/4885KDM4E 878/4885MAPT 4695/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 ALDH1A1 514/4885KDM4E 1491/4885MAPT 4620/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 ALDH1A1 514/4885KDM4E 1491/4885MAPT 4620/4885

“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.