SCHEMBL12730052

SCHEMBL12730052

OB(O)c1cccc(-c2ncco2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.50
▸ PLG P00747 1/20 0.49
▸ F12 P00748 1/20 0.49
▸ F11 P03951 1/20 0.49
▸ KLKB1 P03952 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ HPGDS O60760 1/20 0.46
▸ LTA4H P09960 1/20 0.41
▸ ENPP2 Q13822 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BRD4 O60885 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ IL2 P60568 1/20 0.34
▸ TRPM4 Q8TD43 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33

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
SCHEMBL3964365 0.82 HPGDS (0.58) MGLLHPGDSLTA4HBRD4HDAC4
SCHEMBL23199571 0.79 LTA4H (0.50) MGLLHPGDSLTA4HENPP2BRD4
SCHEMBL16159319 0.78 HPGDS (0.55) MGLLHPGDSLTA4HBRD4HDAC4
SCHEMBL764967 0.77 HPGDS (0.50) HPGDSLTA4H
SCHEMBL30302065 0.77 HPGDS (0.50) HPGDSLTA4H
SCHEMBL19949791 0.77 HPGDS (0.39) PLGF12F11KLKB1PRSS1
SCHEMBL2152660 0.75 HPGDS (0.61) HPGDSLTA4HHDAC4TRPM4
SCHEMBL18118205 0.74 HPGDS (0.44) HPGDSLTA4HALDH1A1CA4CA7
SCHEMBL15883428 0.74 NPC1 (0.51) HPGDSLTA4HKDM4EALDH1A1
SCHEMBL3098624 0.74 RAB9A (0.51) HPGDSLTA4HKDM4EALDH1A1CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 — — US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 — — US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 — — WO 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 MGLL 3415/4885PLG 2327/4885F12 38/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MGLL 716/4885PLG 4747/4885F12 3960/4885

“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.

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