Sugi Predict

Sugi Predict / Compounds / SCHEMBL1590619

SCHEMBL1590619

SCHEMBL1590619

CC(O)Cn1ccc2c(NC(=O)c3cc4cc(Cl)ccc4o3)cccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ ATM Q13315 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ THRB P10828 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ ADAMTS4 O75173 2/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ BCAT1 P54687 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
SCHEMBL1590210 0.89 RAB9A (0.51) RAB9ANPC1ATMMAPTTP53
SCHEMBL13046904 0.85 RAB9A (0.42) RAB9ANPC1ATMMAPTTP53
SCHEMBL13047193 0.84 RAB9A (0.48) RAB9ANPC1ATMMAPTTP53
SCHEMBL13047034 0.82 NPC1 (0.45) RAB9ANPC1ATMMAPTTP53
SCHEMBL1590413 0.81 ALDH1A1 (0.47) MAPTTP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL1590367 0.81 KDM4E (0.54) RAB9ANPC1MAPTTP53TAS1R3
SCHEMBL1590336 0.81 L3MBTL1 (0.49) RAB9ANPC1ATMMAPTTP53
SCHEMBL13046827 0.81 TACR2 (0.42) RAB9ANPC1ATMMAPTTP53
SCHEMBL1590921 0.81 MAPT (0.51) MAPTTP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL1591037 0.81 MAPT (0.48) RAB9ANPC1MAPTTP53SMN1; SMN2

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 8 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-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 RAB9A 3422/4885NPC1 2233/4885ATM 2909/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 RAB9A 3422/4885NPC1 2233/4885ATM 2909/4885

“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.