SCHEMBL1591482

SCHEMBL1591482

CC(CO)n1ccc2c(NC(=O)c3cc(Cl)ccc3Cl)cccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.60
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.41
RORC P51449 1/20 0.40
MAPT P10636 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL1590337 0.92 P2RX7 (0.57) P2RX7ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1590243 0.91 P2RX7 (0.54) P2RX7ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1590524 0.91 P2RX7 (0.59) P2RX7ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1590244 0.89 P2RX7 (0.58) P2RX7ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL1590783 0.85 P2RX7 (0.56) P2RX7ALDH1A1HPGDKDM4EHTT
SCHEMBL1590413 0.82 ALDH1A1 (0.47) P2RX7ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1590950 0.81 P2RX7 (0.56) P2RX7ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL1591538 0.81 P2RX7 (0.56) P2RX7MAPTLMNATP53POLB
SCHEMBL1590428 0.81 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL1590425 0.81 P2RX7 (0.54) P2RX7ALDH1A1HPGDSMN1; SMN2NPSR1

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 10 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
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
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 P2RX7 1/4885ALDH1A1 3640/4885HPGD 368/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 3640/4885HPGD 368/4885

“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.