SCHEMBL19079862

SCHEMBL19079862

O=C(CSc1nc2sc3ccccc3c2c(=O)n1C1CC1)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ ALDH1A1 P00352 12/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HPGD P15428 5/20 0.48
▸ TSHR P16473 4/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL19079860 0.83 PDE4D (0.67) MAPTALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL19079858 0.81 TP53 (0.53) MAPTALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL19079823 0.71 CREBBP (0.78) MAPTALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL19079674 0.70 PDE4D (0.64) MAPTALDH1A1TSHRMAPK1KMT2A
SCHEMBL19079825 0.69 CREBBP (0.63) MAPTALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL19079677 0.68 PDE4D (0.64) MAPTALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL19079736 0.68 PDE4D (0.68) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL19079824 0.67 CREBBP (0.61) MAPTALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL19079747 0.67 KDM4E (0.75) MAPTALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL1412432 0.66 ALDH1A1 (1.00) MAPTALDH1A1SMN1; SMN2HPGDTSHR

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 3 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
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 1503/4885SMN1; SMN2 4025/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A MAPT 4761/4885ALDH1A1 1503/4885SMN1; 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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