SCHEMBL915917

SCHEMBL915917

Cc1cc(C)c2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ IKBKB O14920 2/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ GFER P55789 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL22952937 0.90 NPC1 (0.51) NPC1RAB9AELANEKDM4EALDH1A1
SCHEMBL7191472 0.78 IKBKB (0.42) NPC1RAB9AIKBKBNOTUMGFER
SCHEMBL22952939 0.75 KDM4E (0.45) NPC1RAB9AELANEKDM4EALDH1A1
SCHEMBL914211 0.72 ELANE (0.71) NPC1RAB9AELANEKDM4EALDH1A1
SCHEMBL14666773 0.72 NPC1 (0.57) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL914337 0.71 APEX1 (0.53) NPC1RAB9ANOTUMGFERELANE
SCHEMBL12528517 0.71 SMN1; SMN2 (0.36) NPC1RAB9AELANEKDM4EALDH1A1
SCHEMBL12528524 0.71 P2RY6 (0.38) RAB9AELANEKDM4EALDH1A1PARP1
SCHEMBL25360224 0.70 RAB9A (0.52) NPC1RAB9AELANEKDM4EALDH1A1
SCHEMBL6770574 0.69 F2 (0.49) NPC1RAB9AIKBKBNOTUMGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 — — WO claimed
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 — — US claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 — — US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 — — US disclosed
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 — — US disclosed
WO-1999048878-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 1999-09-30 — — 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 (1 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 NPC1 4151/4885RAB9A 3514/4885IKBKB 1154/4885

“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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