SCHEMBL1591762

SCHEMBL1591762

O=C(Cc1ccccc1F)Nc1cccc2c(=O)n(C(O)C3CCCCC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
P2RX7 Q99572 8/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
PARP14 Q460N5 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL1591502 0.90 KMT2A (0.47) KMT2AP2RX7LMNAALDH1A1KDM4E
SCHEMBL1591354 0.89 KCNQ2 (0.47) P2RX7RAB9APARP14ALDH1A1NPC1
SCHEMBL1590600 0.89 P2RX7 (0.44) KMT2AP2RX7LMNAALDH1A1KDM4E
SCHEMBL1591055 0.86 LMNA (0.51) KMT2AP2RX7LMNAALDH1A1KDM4E
SCHEMBL1591062 0.85 TSHR (0.47) KMT2AP2RX7LMNAALDH1A1MEN1
SCHEMBL1591136 0.84 P2RX7 (0.42) P2RX7MAPT
SCHEMBL1589957 0.83 P2RX7 (0.47) P2RX7RAB9APARP14ALDH1A1NPC1
SCHEMBL1589719 0.83 TP53 (0.44) KMT2AP2RX7RAB9AALDH1A1NPC1
SCHEMBL1590635 0.83 P2RX7 (0.43) P2RX7LMNAALDH1A1KDM4EHPGD
SCHEMBL1590869 0.83 PARP14 (0.44) KMT2AP2RX7PARP14ALDH1A1KDM4E

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 3 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

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 4614/4885P2RX7 1/4885LMNA 1911/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885P2RX7 1/4885LMNA 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.