SCHEMBL1591090

SCHEMBL1591090

Cc1cc(C(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACKR3 P25106 1/20 0.37
TP53 P04637 4/20 0.37
WDR5 P61964 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
P2RX7 Q99572 2/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
MAPT P10636 1/20 0.35
PARP1 P09874 2/20 0.35

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
SCHEMBL1590453 0.89 TP53 (0.42) LMNAKMT2ATP53CNR1CNR2
SCHEMBL1590765 0.88 CNR2 (0.41) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL1590969 0.88 CNR2 (0.44) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL1591606 0.87 KMT2A (0.46) ALDH1A1LMNAMEN1KMT2ACNR2
SCHEMBL1590870 0.86 BRD4 (0.39) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL1590669 0.84 GAA (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1591747 0.84 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL1590910 0.84 KMT2A (0.43) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL1590773 0.83 RAB9A (0.46) KDM4EALDH1A1MEN1KMT2AP2RX7
SCHEMBL1590571 0.82 NPC1 (0.41) ALDH1A1HPGDLMNAMEN1KMT2A

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 IDO1 2176/4885KDM4E 4128/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 IDO1 2176/4885KDM4E 4128/4885ALDH1A1 3640/4885

“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.