SCHEMBL19090418

SCHEMBL19090418

C=C(C)Cn1c(SCC(=O)NCC)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.72
▸ ALDH1A1 P00352 4/20 0.70
▸ LMNA P02545 1/20 0.70
▸ GLA P06280 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ PDE4D Q08499 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ TP53 P04637 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.67
▸ POLB P06746 3/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ GAA P10253 1/20 0.65
▸ TDP1 Q9NUW8 3/20 0.60
▸ RECQL P46063 2/20 0.60
▸ NR4A1 P22736 1/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ APOBEC3A P31941 1/20 0.60
▸ PTPN7 P35236 1/20 0.60
▸ APOBEC3G Q9HC16 1/20 0.60
▸ HSD17B10 Q99714 2/20 0.59

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
SCHEMBL19079766 0.90 MAPT (0.69) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079812 0.86 PDE4D (0.70) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079715 0.83 PDE4D (0.69) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079854 0.82 PDE4D (0.67) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079714 0.82 PDE4D (0.67) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079698 0.82 PDE4D (1.00) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079708 0.81 PDE4D (0.85) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19088672 0.81 RXFP1 (0.85) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079709 0.81 TSHR (0.77) MAPTALDH1A1LMNAGLATSHR
SCHEMBL19079779 0.80 RXFP1 (0.84) MAPTALDH1A1LMNAGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 — — US disclosed
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 (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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A MAPT 4761/4885ALDH1A1 1503/4885LMNA 3846/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A MAPT 4761/4885ALDH1A1 1503/4885LMNA 3846/4885

“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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