SCHEMBL2536561

SCHEMBL2536561

[CH2]Oc1ccccc1N(C)C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.65
FSCN1 Q16658 1/20 0.40
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
PAX8 Q06710 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34
HPGD P15428 1/20 0.34
GGT1 P19440 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL2536563 0.83 TSPO (0.67) TSPOTSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL11355173 0.81 TSPO (0.65) TSPOTSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL27386209 0.78 TSPO (0.56) TSPOFSCN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2539697 0.76 MAPT (0.40) TSPOTSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL5536970 0.74 TSPO (0.55) TSPOFSCN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL15224071 0.74 TSPO (0.55) TSPOFSCN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL17703622 0.74 TSPO (0.55) TSPOFSCN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL12457113 0.73 TSPO (0.57) TSPOTSHRSMN1; SMN2TDP1KDM4E
SCHEMBL5536962 0.72 TSPO (0.53) TSPOFSCN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL29674730 0.72 TSPO (0.53) TSPOFSCN1SMN1; SMN2ALDH1A1LMNA

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
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 TSPO 1294/4885FSCN1 4864/4885TSHR 226/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 TSPO 1376/4885FSCN1 4869/4885TSHR 223/4885

“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.