SCHEMBL2539697

SCHEMBL2539697

[CH2]Oc1ccccc1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL2458146 0.80 TSPO (0.46) MAPTALDH1A1GAATP53TSHR
SCHEMBL2539698 0.78 CA1 (0.57) MAPTALDH1A1GAATP53TSHR
Hydrochloric Acid SCHEMBL2862732 0.76 CA1 (0.55) ALDH1A1TP53TSHRCA1CA2
SCHEMBL7638541 0.76 TDP1 (0.37) MAPTALDH1A1GAATP53TSHR
SCHEMBL2536561 0.76 TSPO (0.65) MAPTALDH1A1GAATP53TSHR
SCHEMBL27509670 0.74 MAPT (0.39) MAPTALDH1A1GAATP53TSHR
SCHEMBL8830001 0.74 MAPT (0.39) MAPTALDH1A1GAATP53TSHR
Nitrogen SCHEMBL10985025 0.74 CA1 (0.52) ALDH1A1TP53TSHRCA1CA2
SCHEMBL24198886 0.73 MAPT (0.38) MAPTALDH1A1GAATP53TSHR
Hydrochloric Acid SCHEMBL6908453 0.73 MAPT (0.38) MAPTALDH1A1GAATP53TSHR

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 MAPT 3841/4885ALDH1A1 3756/4885GAA 2322/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 MAPT 4280/4885ALDH1A1 2837/4885GAA 1286/4885

“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.