SCHEMBL1590748

SCHEMBL1590748

CC(C)(O)Cn1ccc2c(NC(=O)c3ccc(Cl)cc3Cl)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
CYP2C19 P33261 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
GAA P10253 1/20 0.43
P2RX7 Q99572 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1590409 0.92 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL1590825 0.91 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL1591704 0.89 HPGD (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL13047435 0.85 ALDH1A1 (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL1591640 0.85 HTT (0.43) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL1590517 0.85 P2RX7 (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL13047111 0.84 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL1590367 0.84 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL13046838 0.83 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDCYP2C19
SCHEMBL1590374 0.83 KMT2A (0.47) SMN1; SMN2ALDH1A1HPGDNPSR1P2RX7

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 KDM4E 4128/4885SMN1; SMN2 4369/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885SMN1; SMN2 4369/4885ALDH1A1 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.