SCHEMBL307059

SCHEMBL307059

O=C(O)Cc1ccc2c(=O)occc2c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LCK P06239 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ GRB2 P62993 1/20 0.33
▸ S100A4 P26447 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ STING1 Q86WV6 1/20 0.30

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
SCHEMBL305906 0.82 KDM4E (0.35) SMN1; SMN2MAPTKDM4EGLA
SCHEMBL10169775 0.80 TRPV1 (0.38) CYP1A2SMN1; SMN2MAPTKDM4ETDP1
SCHEMBL306896 0.73 ALDH1A1 (0.47) MAPTS100A4KDM4ETDP1
SCHEMBL307254 0.73 TSHR (0.36) SMN1; SMN2MAPTS100A4TDP1
SCHEMBL306448 0.73 PAX8 (0.34) MAPTS100A4
SCHEMBL27953904 0.71 CYP1A2 (0.50) CYP1A2SMN1; SMN2ALOX15TDP1
SCHEMBL7234126 0.69 CYP1A2 (0.43) CYP1A2MAPTAKR1B1KDM4ETDP1
SCHEMBL307042 0.69 MAPT (0.33) MAPTKDM4E
SCHEMBL10855157 0.67 OPRK1 (0.48) CYP1A2ALOX15AKR1B1TDP1
SCHEMBL13008807 0.67 HASPIN (0.47) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 — — EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 — — EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 — — US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 — — US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 — — US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 — — EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 — — US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 — — WO disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 — — EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 — — 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CYP1A2 1291/4885SMN1; SMN2 3970/4885ALOX15 361/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CYP1A2 1172/4885SMN1; SMN2 4369/4885ALOX15 315/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CYP1A2 1172/4885SMN1; SMN2 4369/4885ALOX15 315/4885

“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.

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