SCHEMBL305920

SCHEMBL305920

CN(C)C=Cc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
DNA2 P51530 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
POLB P06746 2/20 0.39
CDC25B P30305 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HCAR3 P49019 1/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL305921 1.00 TSHR (0.55) TSHRTDP1L3MBTL1KDM4EGLA
SCHEMBL306855 1.00 TSHR (0.55) TSHRTDP1L3MBTL1KDM4EGLA
SCHEMBL305927 0.85 ALDH1A1 (0.44) TSHRTDP1L3MBTL1KDM4EGLA
SCHEMBL305926 0.85 ALDH1A1 (0.44) TSHRTDP1L3MBTL1KDM4EGLA
SCHEMBL824981 0.85 TDP1 (0.48) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL28062978 0.85 TDP1 (0.48) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL13987121 0.84 TSHR (0.40) TSHRTDP1L3MBTL1GLAALDH1A1
SCHEMBL9641376 0.81 KMT2A (0.43) TSHRKDM4EALDH1A1MAPTMEN1
SCHEMBL9640736 0.81 ALDH1A1 (0.46) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL9640731 0.81 ALDH1A1 (0.46) TSHRTDP1L3MBTL1ALDH1A1MAPT

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 28 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-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP disclosed
WO-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109172-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-2007109154-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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
EP-1322638-A1 ANTIFUNGAL AND/OR ANTIPARASITIC PHARMACEUTICAL COMPOSITION AND NOVEL INDOLE DERIVATIVES AS ACTIVE PRINCIPLE OF SUCH A COMPOSITION Yang Ji Chemical Company Ltd. (KR) 2003-07-02 EP disclosed
WO-2002024685-A1 INDOLE DERIVATIVES AND THEIR USE AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS YANG JI CHEMICAL COMPANY LTD. (KR) 2002-03-28 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 (6 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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 TSHR 3969/4885TDP1 2273/4885L3MBTL1 4521/4885
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885TDP1 2440/4885L3MBTL1 4476/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885TDP1 2440/4885L3MBTL1 4476/4885
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885TDP1 2440/4885L3MBTL1 4476/4885
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885TDP1 2440/4885L3MBTL1 4476/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885TDP1 2440/4885L3MBTL1 4476/4885

“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.