SCHEMBL7574063

SCHEMBL7574063

Cc1noc2cc(NC(=O)c3ccccc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 1/20 0.51
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
ACHE P22303 1/20 0.50
FKBP5 Q13451 1/20 0.50
HIF1A Q16665 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.49
CA9 Q16790 1/20 0.48

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
SCHEMBL4025539 0.81 CA12 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4103035 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL12417224 0.75 NPC1 (0.76) MAOBNPC1RAB9AKMT2AMEN1
SCHEMBL17307563 0.75 CA12 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
Iodide SCHEMBL30522615 0.74 NPC1 (0.74) MAOBNPC1RAB9AKMT2AMEN1
SCHEMBL3899214 0.73 NPC1 (0.56) MAOBNPC1RAB9AKMT2AMEN1
SCHEMBL5917800 0.73 KDM2B (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL30128312 0.73 ALDH1A1 (0.71) MAOBNPC1RAB9AKMT2AMEN1
SCHEMBL24783928 0.73 GRM4 (0.48)
SCHEMBL4163146 0.72 NR3C1 (0.53) MAOB

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
US-6498255-B2 CHOLINESTERASE INHIBITORS; COGNITION ACTIVATORS; ALZHEIMER'S DISEASE; E.G., 3-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-1,2-BENZISOXAZOLE PFIZER INC. 2002-12-24 US disclosed
US-20020028834-A1 Heterocyclic-cyclic amine derivatives VILLALOBOS ANABELLA (US) 2002-03-07 US disclosed
US-6326382-B1 CHOLINESTERASE INHIBITORS; USEFUL IN ENHANCING MEMORY IN PATIENTS SUFFERING FROM DEMENTIA AND ALZHEIMER'S DISEASE EISAI CO., LTD (JP) 2001-12-04 US disclosed
US-5750542-A Benzisoxazole and benzisothizole derivatives as cholinesterase inhibitors PFIZER (US) 1998-05-12 US disclosed
US-5538984-A Methods of using piperidyl-benzisoxazole and benisothiazole derivatives as cholinesterase inhibitors PFIZER INC. (US) 1996-07-23 US disclosed
WO-1992017475-A1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES PFIZER INC. (US) 1992-10-15 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-20020028834-A1 Heterocyclic-cyclic amine derivatives BCHE, ACHE, CHRM1 MAOB 13/4885NPC1 1216/4885RAB9A 835/4885

“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.