SCHEMBL1591761

SCHEMBL1591761

O=C(Cc1ccccc1F)Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 4/20 0.43
RAB9A P51151 2/20 0.43
PARP14 Q460N5 1/20 0.43
TP53 P04637 1/20 0.42
ELOVL1 Q9BW60 1/20 0.42
P2RX7 Q99572 3/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1591499 0.89 KMT2A (0.48) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL1590597 0.89 POLB (0.42) KMT2AALDH1A1KDM4EHPGDP2RX7
SCHEMBL1591352 0.89 KCNQ2 (0.47) KMT2AALDH1A1KDM4EHPGDPARP14
SCHEMBL1591053 0.86 KDM4E (0.51) ALDH1A1KDM4EHPGDLMNARAB9A
SCHEMBL1591058 0.84 POLB (0.51) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL1591134 0.84 JUN (0.42) ALDH1A1KDM4EHPGDTP53P2RX7
SCHEMBL13114786 0.84 P2RX7 (0.39) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL1589954 0.83 P2RX7 (0.45) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL1590633 0.82 POLB (0.41) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL1589718 0.82 GRM2 (0.45) KMT2AALDH1A1KDM4EHPGDTP53

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 4614/4885ALDH1A1 3640/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885ALDH1A1 3640/4885KDM4E 4128/4885

“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.