SCHEMBL5098682

SCHEMBL5098682

OCc1ncc(-c2ccc(F)cc2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.70
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX5 P09917 1/20 0.43
FAAH O00519 1/20 0.42
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40

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
Hydrochloric Acid SCHEMBL5090617 0.83 NOTUM (0.59) NOTUMRXRARXRBRXRGNPC1
SCHEMBL11616981 0.82 NOTUM (0.47) NOTUMRXRARXRBRXRGNPC1
SCHEMBL12188072 0.82 NOTUM (0.47) NOTUMRXRARXRBRXRGNPC1
SCHEMBL9830387 0.82 NOTUM (1.00) NOTUMRXRARXRBRXRGKDM4E
SCHEMBL18567080 0.81 NOTUM (1.00) NOTUMRXRARXRBRXRGNPC1
SCHEMBL11617459 0.78 NOTUM (0.44) NOTUMRXRARXRBRXRGNPC1
SCHEMBL22042140 0.78 NOTUM (0.59) NOTUMRXRARXRBRXRGHDAC1
SCHEMBL11618526 0.76 ALOX5 (0.42) NOTUMRXRARXRBRXRGNPC1
SCHEMBL26424617 0.76 TSHR (0.47) NOTUMRXRARXRBRXRGNPC1
SCHEMBL7894636 0.76 NOTUM (0.60) NOTUMRXRARXRBRXRGNPC1

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
CN-100475792-C Novel gamma-secretase inhibitors MERCK SHARP & DOHME (GB) 2009-04-08 CN disclosed
US-7452899-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-11-18 US disclosed
EP-1658272-B1 NOVEL GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2007-07-25 EP disclosed
CN-1832927-A Novel gamma-secretase inhibitors MERCK SHARP & DOHME (GB) 2006-09-13 CN disclosed
US-20060189666-A1 Novel gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2006-08-24 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 (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-20060189666-A1 Novel gamma-secretase inhibitors BACE1, BACE2, APP NOTUM 554/4885RXRA 4154/4885RXRB 3298/4885

“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.