SCHEMBL19079818

SCHEMBL19079818

C=C(C)Cn1c(CCc2cc3ccc(Cl)cc3o2)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL19079740 0.77 SMN1; SMN2 (0.58) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079854 0.69 PDE4D (0.67) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079869 0.69 PDE4D (0.58) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079759 0.69 PDE4D (0.74) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079868 0.68 MAPT (0.61) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079863 0.67 PDE4D (0.72) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079867 0.67 PDE4D (0.58) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079743 0.67 MAPT (0.67) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079741 0.67 PDE4D (0.76) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079758 0.65 PDE4D (0.76) PDE4DSMN1; SMN2TP53RXFP1MAPT

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 PDE4D 6/4885SMN1; SMN2 4025/4885TP53 4300/4885

“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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