SCHEMBL1590786

SCHEMBL1590786

CCOc1cccc(C(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
POLB P06746 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13046662 0.93 KMT2A (0.49) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL1590470 0.86 KLKB1 (0.46) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL13046697 0.85 TP53 (0.52) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL1590896 0.85 KMT2A (0.51) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL13047449 0.83 RAB9A (0.49) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL1590543 0.83 NPC1 (0.48) KMT2ALMNAMEN1NR1H4NPC1
SCHEMBL13047886 0.81 GRM2 (0.50) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL1590517 0.81 P2RX7 (0.42) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL13046647 0.81 LMNA (0.49) KMT2ALMNAMEN1TSHRSMN1; SMN2
SCHEMBL1590361 0.81 TP53 (0.47) KMT2ALMNAMEN1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
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-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 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 KMT2A 4614/4885LMNA 1911/4885MEN1 4853/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885LMNA 1911/4885MEN1 4853/4885

“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.