Sugi Predict

Sugi Predict / Compounds / SCHEMBL1590418

SCHEMBL1590418

SCHEMBL1590418

C[C@H](C(N)=O)n1ccc2c(NC(=O)[C@H](C)c3ccc(Cl)c(Cl)c3)cccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.44
▸ KMT2A Q03164 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ AURKA O14965 3/20 0.36
▸ RPS6KB1 P23443 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTGER3 P43115 1/20 0.35

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
SCHEMBL1590406 1.00 P2RX7 (0.44) P2RX7KMT2AKCNQ2TRPV1AURKA
SCHEMBL1591225 1.00 P2RX7 (0.44) P2RX7KMT2AKCNQ2TRPV1AURKA
SCHEMBL1590407 1.00 P2RX7 (0.44) P2RX7KMT2AKCNQ2TRPV1AURKA
SCHEMBL1590853 0.89 P2RX7 (0.56) P2RX7TRPV1AURKARPS6KB1
SCHEMBL17577782 0.89 P2RX7 (0.44) P2RX7KMT2ACYP1A2PTGER3
SCHEMBL1590683 0.89 P2RX7 (0.56) P2RX7TRPV1AURKARPS6KB1
SCHEMBL1590681 0.89 P2RX7 (0.56) P2RX7TRPV1AURKARPS6KB1
SCHEMBL1590380 0.89 P2RX7 (0.42) P2RX7KMT2AKCNQ2
SCHEMBL1590376 0.89 P2RX7 (0.42) P2RX7KMT2AKCNQ2
SCHEMBL17577866 0.89 P2RX7 (0.42) P2RX7KMT2AKCNQ2

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 P2RX7 1/4885KMT2A 4614/4885KCNQ2 519/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KMT2A 4614/4885KCNQ2 519/4885

“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.