SCHEMBL14840458

SCHEMBL14840458

Cc1cccc(C=O)c1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
ERN1 O75460 3/20 0.42
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IMPDH2 P12268 1/20 0.38
MAPT P10636 2/20 0.36

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
SCHEMBL14582403 0.82 ALDH1A1 (0.61) ALDH1A1TSHRERN1KMT2AGAA
SCHEMBL14876792 0.82 ALDH1A1 (0.65) ALDH1A1TSHRERN1KMT2ASMN1; SMN2
SCHEMBL11155208 0.82 MAPT (0.48) ALDH1A1MAPK14MGAMGAASI
SCHEMBL7935194 0.81 ALDH1A1 (0.54) ALDH1A1TSHRERN1KMT2ASMN1; SMN2
SCHEMBL14840670 0.80 ERN1 (0.47) ALDH1A1ERN1KMT2ASMN1; SMN2MAPK14
SCHEMBL20135885 0.78 ALDH1A1 (0.50) ALDH1A1TSHRERN1KMT2ATRIM24
SCHEMBL18367731 0.76 ERN1 (0.41) ALDH1A1TSHRERN1KMT2ASMN1; SMN2
SCHEMBL3904012 0.76 CYP46A1 (0.36) ALDH1A1KMT2AMAPK14MGAMGAA
SCHEMBL20578701 0.75 TSHR (0.52) ALDH1A1TSHRERN1KMT2ASMN1; SMN2
SCHEMBL1666430 0.73 ALDH1A1 (0.59) ALDH1A1TSHRERN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2021-07-08 US disclosed
US-9440990-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-13 US disclosed
US-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-31 US disclosed
US-8648079-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-11 US disclosed
US-20130090341-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-11 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 (4 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-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PSEN1, HTT ALDH1A1 59/4885TSHR 4345/4885ERN1 2218/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ALDH1A1 101/4885TSHR 4289/4885ERN1 2281/4885
US-20130090341-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF ALDH1A1 300/4885TSHR 3992/4885ERN1 3895/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ALDH1A1 101/4885TSHR 4289/4885ERN1 2281/4885

“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.