SCHEMBL5804153

SCHEMBL5804153

CCOC(=O)c1nn(-c2ccccc2C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
GLA P06280 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PDE4A P27815 2/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.48
ELANE P08246 4/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL462829 0.87 NPC1 (0.51) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL11763000 0.85 NPC1 (0.53) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL4554346 0.84 NPC1 (0.77) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL19058863 0.80 NPC1 (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5803621 0.80 NPC1 (0.52) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL5802287 0.78 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14019455 0.78 NPC1 (0.77) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL15754546 0.77 CYP1A2 (0.47) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL14019454 0.77 NPC1 (0.69) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL407653 0.77 DGAT1 (0.49) NPC1RAB9AMAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST NPC1 371/4885RAB9A 3782/4885MAPT 1228/4885

“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.