SCHEMBL307254

SCHEMBL307254

O=c1occc2c([N+](=O)[O-])c(Cl)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ VCAM1 P19320 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PAX8 Q06710 2/20 0.34
▸ ALPL P05186 2/20 0.34
▸ ALPI P09923 2/20 0.34
▸ GRIN2D O15399 2/20 0.33
▸ GRIN3B O60391 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ GRIN2C Q14957 2/20 0.33
▸ GRIN3A Q8TCU5 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ XBP1 P17861 1/20 0.32

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
SCHEMBL9422167 0.82 ALDH1A1 (0.50) TSHRALDH1A1VCAM1HSD17B10TDP1
SCHEMBL306448 0.80 PAX8 (0.34) ALDH1A1PAX8LMNAMAPTS100A4
SCHEMBL306896 0.80 ALDH1A1 (0.47) TSHRALDH1A1TDP1PAX8LMNA
SCHEMBL6477864 0.79 PAX8 (0.50) TSHRALDH1A1VCAM1HSD17B10TDP1
SCHEMBL307042 0.75 MAPT (0.33) PAX8LMNAMAPT
SCHEMBL307059 0.73 CYP1A2 (0.41) TDP1MAPTS100A4SMN1; SMN2
SCHEMBL7514813 0.71 ALDH1A1 (0.56) TSHRALDH1A1VCAM1HSD17B10TDP1
SCHEMBL29702010 0.71 ALDH1A1 (0.56) TSHRALDH1A1VCAM1HSD17B10TDP1
SCHEMBL13819398 0.71 KDM4E (0.44) TSHRALDH1A1HSD17B10LMNAMAPT
SCHEMBL305604 0.69 TDP1 (0.64) ALDH1A1HSD17B10TDP1MAPTS100A4

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 30 patents — showing the first 20. 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-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
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-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 — — US 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-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 — — US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 — — US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 — — WO 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-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
WO-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO 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
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 — — US 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 (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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885ALDH1A1 3640/4885VCAM1 651/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885ALDH1A1 3640/4885VCAM1 651/4885

“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.

Send feedback