SCHEMBL3594103

SCHEMBL3594103

c1ccc(Cc2ncnn2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.59
TP53 P04637 2/20 0.43
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CALM1 P0DP23 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TSHR P16473 4/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 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
SCHEMBL28538769 0.86 P2RX7 (0.50) P2RX7TP53MDM2ALDH1A1HPGD
SCHEMBL3106334 0.82 CA1 (0.52) P2RX7
SCHEMBL10870740 0.81 P2RX7 (0.52) P2RX7TP53MDM2ALDH1A1HPGD
SCHEMBL21863405 0.79 ALDH1A1 (0.46) P2RX7TP53ALDH1A1HPGDNPC1
SCHEMBL19303203 0.76 ADK (0.41) P2RX7TP53ALDH1A1HPGDNPC1
SCHEMBL11952909 0.75 ALDH1A1 (0.41) P2RX7TP53ALDH1A1HPGDNPC1
SCHEMBL3599968 0.75 P2RX7 (1.00) P2RX7
SCHEMBL17709263 0.73 ALDH1A1 (0.36) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL10588731 0.71 CETP (0.49) TP53ALDH1A1HPGDNPC1RAB9A
SCHEMBL4405904 0.70 HSD11B1 (0.59) ALDH1A1HPGDMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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 (1 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 P2RX7 1/4885TP53 2854/4885MDM2 4059/4885

“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.