SCHEMBL1591499

SCHEMBL1591499

O=C(Cc1cccc2ccccc12)Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 6/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
PTGER4 P35408 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK8 P45983 3/20 0.46
MAPK10 P53779 3/20 0.46
MAPK9 P45984 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL1591352 0.89 KCNQ2 (0.47) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL1590597 0.89 POLB (0.42) KMT2AMEN1KDM4EHPGDPOLB
SCHEMBL1591761 0.89 KMT2A (0.47) KMT2AMEN1LMNAKDM4EHPGD
SCHEMBL1591053 0.87 KDM4E (0.51) LMNAKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL1591058 0.85 POLB (0.51) KMT2AMEN1LMNAKDM4EHPGD
SCHEMBL1591134 0.85 JUN (0.42) KDM4EHPGDSMN1; SMN2MAPK8MAPK9
SCHEMBL13114786 0.85 P2RX7 (0.39) KMT2AMEN1LMNAKDM4EHPGD
SCHEMBL1589954 0.83 P2RX7 (0.45) KMT2AMEN1LMNAKDM4EHPGD
SCHEMBL1590633 0.83 POLB (0.41) LMNAKDM4EHPGDPOLBALDH1A1
SCHEMBL1589718 0.83 GRM2 (0.45) KMT2AMEN1KDM4EHPGDSMN1; 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 4614/4885MEN1 4853/4885LMNA 1911/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885LMNA 1911/4885

“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.