SCHEMBL23915317

SCHEMBL23915317

Nc1cc(Cl)c(OCC(F)F)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 2/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 1/20 0.38
CD44 P16070 1/20 0.34
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1I2 O75469 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
TACR2 P21452 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADORA1 P30542 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL30778504 0.91 NPC1 (0.50) MAOAHTR2AHTR2CHTR2BGAA
SCHEMBL23914672 0.81 GAA (0.49) MAOAGAANPC1CD44TSHR
SCHEMBL23913686 0.80 MAPT (0.43) TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL23915311 0.78 BACE1 (0.36) HTR2AHTR2CHTR2BGAAL3MBTL1
SCHEMBL12441375 0.78 GAA (0.46) HTR2AHTR2CHTR2BGAATSHR
SCHEMBL30271319 0.77 HTR2C (0.36) HTR2AHTR2CHTR2BGAAL3MBTL1
SCHEMBL18122084 0.74 MAPT (0.54) NPC1TDP1L3MBTL1NPSR1ALDH1A1
SCHEMBL30026141 0.74 MAOA (0.39) MAOAGAANPC1TSHRTDP1
SCHEMBL9390543 0.74 GAA (0.42) GAANPC1CD44TDP1L3MBTL1
SCHEMBL11436726 0.74 MAPT (0.48) MAOAHTR2CGAANPC1CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAOA 2404/4885HTR2A 577/4885HTR2C 1276/4885

“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.