SCHEMBL1896101

SCHEMBL1896101

[CH2]C([CH2])n1ccc2c(I)cccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
TP53 P04637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
ROCK1 Q13464 1/20 0.32
MYLK Q15746 1/20 0.32
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TYMS P04818 2/20 0.31
GAA P10253 1/20 0.31
P2RX7 Q99572 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1896358 0.79 PARP1 (0.47) CYP3A4TSHRTYMSKDM4E
SCHEMBL15871407 0.79 P2RX7 (0.35) MGLLTSHRNPSR1TYMSGAA
SCHEMBL12668543 0.78 P2RX7 (0.38) TSHRTYMSGAAP2RX7
SCHEMBL2498056 0.76 P2RX7 (0.36) TSHRTYMSGAAP2RX7
SCHEMBL1897092 0.75 P2RX7 (0.42) TSHRLMNAP2RX7KDM4E
SCHEMBL1899104 0.75 P2RX7 (0.42) TSHRLMNAP2RX7KDM4E
SCHEMBL1897096 0.75 P2RX7 (0.42) TSHRLMNAP2RX7KDM4E
SCHEMBL1901742 0.74 GAA (0.61) RAB9AGAA
SCHEMBL1900019 0.74 P2RX7 (0.51) TSHRP2RX7
SCHEMBL8063482 0.73 GAA (0.56) TP53LMNAGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
EP-1937643-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-07-02 EP disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 MGLL 2900/4885TP53 4710/4885CYP1A2 927/4885

“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.