SCHEMBL19401259

SCHEMBL19401259

OCCNCc1ccccccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ MAOA P21397 1/20 0.64
▸ CHRM2 P08172 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ SIGMAR1 Q99720 3/20 0.57
▸ MPO P05164 2/20 0.55
▸ PDCD1 Q15116 1/20 0.55
▸ CD274 Q9NZQ7 1/20 0.55
▸ DRD4 P21917 3/20 0.53
▸ THRB P10828 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ DRD2 P14416 1/20 0.50
▸ DRD3 P35462 1/20 0.50

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
SCHEMBL177039 1.00 MEN1 (0.73) MEN1KMT2ATDP1SMN1; SMN2MAOA
Hydrochloric Acid SCHEMBL6897315 0.98 SMN1; SMN2 (0.72) MEN1KMT2ATDP1SMN1; SMN2MAOA
Bromide SCHEMBL11864024 0.98 MEN1 (0.70) MEN1KMT2ATDP1SMN1; SMN2MAOA
SCHEMBL6265883 0.96 SMN1; SMN2 (0.76) MEN1KMT2ATDP1SMN1; SMN2MAOA
Alcohol SCHEMBL11200660 0.92 SMN1; SMN2 (0.66) MEN1KMT2ATDP1SMN1; SMN2MAOA
SCHEMBL7986639 0.90 CHRM2 (0.81) MEN1KMT2ATDP1SMN1; SMN2MAOA
Diethanolamine SCHEMBL5343789 0.90 GAA (0.74) MEN1KMT2ATDP1SMN1; SMN2MAOA
N-Benzylmethylamine SCHEMBL781748 0.90 MAPT (0.63) MEN1KMT2ATDP1SMN1; SMN2MAOA
Sulfuric Acid SCHEMBL28861186 0.90 MEN1 (0.59) MEN1KMT2ATDP1SMN1; SMN2MAOA
SCHEMBL8029016 0.90 CHRM2 (0.81) MEN1KMT2ATDP1SMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 — — US disclosed
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-09-28 — — 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 (2 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-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MEN1 2907/4885KMT2A 4283/4885TDP1 4821/4885
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MEN1 2907/4885KMT2A 4283/4885TDP1 4821/4885

“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.

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