SCHEMBL23915537

SCHEMBL23915537

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C(F)(F)F)c(O)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 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
SCHEMBL23913687 0.85 LMNA (0.40) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL29999653 0.84 LMNA (0.41) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL26694776 0.84 LMNA (0.41) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL29322340 0.82 LMNA (0.40) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL30127159 0.81 HSP90AA1 (0.49) PDK1LMNAMAPTMEN1ALDH1A1
SCHEMBL22491166 0.81 HSP90AA1 (0.49) PDK1LMNAMAPTMEN1ALDH1A1
SCHEMBL23909098 0.79 LMNA (0.41) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL29816512 0.77 LMNA (0.40) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL31187651 0.77 LMNA (0.40) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL28490830 0.76 LMNA (0.46) LMNAMAPTMEN1ALDH1A1KMT2A

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 PDK1 1173/4885LMNA 449/4885MAPT 4876/4885

“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.