SCHEMBL1591093

SCHEMBL1591093

Cc1cc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TP53 P04637 5/20 0.45
ACKR3 P25106 1/20 0.44
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
P2RX7 Q99572 2/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE4D Q08499 1/20 0.36

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
SCHEMBL1590454 0.89 TP53 (0.44) LMNATP53MEN1KMT2AKDM4E
SCHEMBL1590769 0.88 ACKR3 (0.46) LMNAACKR3MEN1KMT2AHSD17B10
SCHEMBL1590972 0.88 CNR2 (0.46) TP53MAPTKDM4EUSP2TSHR
SCHEMBL1591609 0.87 NPC1 (0.47) LMNAACKR3MAPTMEN1KMT2A
SCHEMBL1590875 0.86 KMT2A (0.41) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL1590776 0.84 RAB9A (0.47) LMNAACKR3MAPTMEN1KMT2A
SCHEMBL1591751 0.84 ACKR3 (0.45) LMNAACKR3KDM4ENPSR1CNR1
SCHEMBL1590914 0.84 KMT2A (0.43) ACKR3MAPTKMT2AKDM4EP2RX7
SCHEMBL1591507 0.82 CCR8 (0.41) LMNAACKR3MAPTMEN1KMT2A
SCHEMBL1591656 0.82 MEN1 (0.45) LMNATP53ACKR3MAPTMEN1

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 LMNA 1911/4885TP53 4589/4885ACKR3 136/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885TP53 4589/4885ACKR3 136/4885

“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.