SCHEMBL1590825

SCHEMBL1590825

Cc1cc(Cl)ccc1C(=O)Nc1cccc2c(=O)n(CC(C)(C)O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 5/20 0.42
P2RX7 Q99572 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNMA1 Q12791 1/20 0.39
LMNA P02545 1/20 0.39
PARP1 P09874 2/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL13047111 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1590748 0.91 KDM4E (0.54) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1590374 0.90 KMT2A (0.47) SMN1; SMN2ALDH1A1HPGDNPSR1MAPT
SCHEMBL1590409 0.89 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1590750 0.87 PARP1 (0.53) ALDH1A1LMNAPARP1POLBTP53
SCHEMBL1591117 0.87 GRM2 (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL13047134 0.85 MAPT (0.45) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1591037 0.84 MAPT (0.48) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1591338 0.84 TAS1R3 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1590634 0.84 NPC1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDNPSR1

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

“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.