SCHEMBL13046641

SCHEMBL13046641

COc1ccc(C(=O)Nc2cccc3c(=O)n(CCN4CCOCC4)ccc23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
LMNA P02545 3/20 0.49
USP2 O75604 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL13047041 0.91 ALDH1A1 (0.51) LMNAUSP2MAPK1TSHRHSD17B10
SCHEMBL13046975 0.90 RAB9A (0.49) KMT2ALMNATSHRHSD17B10MAPK14
SCHEMBL13046696 0.87 KMT2A (0.52) KMT2ALMNAALDH1A1MAPTRXFP1
SCHEMBL13046607 0.86 KMT2A (0.46) KMT2ALMNAUSP2MAPK1TSHR
SCHEMBL13046935 0.85 TSHR (0.55) KMT2ALMNATSHRALDH1A1MAPT
SCHEMBL13047390 0.84 KMT2A (0.49) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL13046929 0.84 HDAC1 (0.45) USP2MAPK1MAPK14ALDH1A1HTT
SCHEMBL13046974 0.83 ALDH1A1 (0.46) LMNAUSP2MAPK1TSHRMAPK14
SCHEMBL13046936 0.83 ALDH1A1 (0.53) KMT2ALMNATSHRALDH1A1MAPT
SCHEMBL13047425 0.82 CYP1A2 (0.56) KMT2ALMNAMAPK14MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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 (1 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885LMNA 1911/4885USP2 4733/4885

“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.