SCHEMBL16199151

SCHEMBL16199151

Cc1cc(-c2ccccc2F)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
KMT2A Q03164 3/20 0.44
RELA Q04206 3/20 0.44
TP53 P04637 1/20 0.44
GFER P55789 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL16481993 0.80 HCRTR1 (0.41) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL12299893 0.80 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL22275007 0.78 GAA (0.54) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2477370 0.78 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL30338333 0.78 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL995408 0.78 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL20162763 0.77 MAPT (0.47) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL30036848 0.77 MAPT (0.47) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL16198636 0.77 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL12987859 0.77 ESR1 (0.47) MAPTGAATP53GFER

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
EP-3554506-B1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2021-04-28 EP disclosed
EP-3199517-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2017-08-02 EP disclosed
EP-2864292-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-04-12 EP disclosed
US-20160090393-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-31 US disclosed
US-8871792-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-28 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-20160090393-A1 NEPRILYSIN INHIBITORS MME, REN, ACE NPC1 312/4885RAB9A 812/4885SMN1; SMN2 1013/4885

“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.