SCHEMBL19090763

SCHEMBL19090763

C=CCn1c(OCC(=O)N2CCN(C)CC2)nc2oc3c(c2c1=O)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL19090761 0.82 TSHR (0.56) MAPK1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL19079697 0.65 TSHR (0.81) MAPK1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL19079803 0.61 MAPK1 (0.34) MAPK1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL19079801 0.60 TSHR (0.48) MAPK1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9123882 0.56 L3MBTL1 (0.46) MAPK1SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL6886932 0.55 CYP1A2 (0.46) MAPK1SMN1; SMN2MAPTTDP1PTPN7
SCHEMBL18288636 0.55 L3MBTL1 (0.44) SMN1; SMN2MAPTTDP1POLBL3MBTL1
SCHEMBL16438582 0.54 POLB (0.48) MAPK1TSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL9122963 0.54 L3MBTL1 (0.43) MAPK1SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL508614 0.53 GAA (0.51) SMN1; SMN2ALDH1A1KDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — 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-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A MAPK1 916/4885TSHR 3082/4885SMN1; SMN2 4025/4885

“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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