SCHEMBL19079858

SCHEMBL19079858

C=C(C)Cn1c(SCC(=O)N2CCCCC2)nc2sc3ccccc3c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.53
▸ PDE4D Q08499 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TSHR P16473 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ ALDH1A1 P00352 8/20 0.51
▸ GAA P10253 2/20 0.51
▸ MAPT P10636 4/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL19079862 0.81 MAPT (0.54) PDE4DSMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL19079856 0.80 PDE4D (0.69) TP53PDE4DSMN1; SMN2TSHRHPGD
SCHEMBL19079715 0.80 PDE4D (0.69) TP53PDE4DSMN1; SMN2TSHRALDH1A1
SCHEMBL19079711 0.75 PDE4D (0.74) TP53PDE4DSMN1; SMN2TSHRALDH1A1
SCHEMBL19079714 0.73 PDE4D (0.67) TP53PDE4DSMN1; SMN2TSHRALDH1A1
SCHEMBL19079709 0.73 TSHR (0.77) TP53PDE4DSMN1; SMN2TSHRALDH1A1
SCHEMBL19079876 0.72 MEN1 (0.45) TP53PDE4DSMN1; SMN2TSHRHPGD
SCHEMBL19079849 0.72 PDE4D (0.65) TP53PDE4DSMN1; SMN2TSHRALDH1A1
SCHEMBL19079673 0.72 HTT (0.58) TP53TSHRHPGDALDH1A1GAA
SCHEMBL19079828 0.70 TSHR (0.63) TP53PDE4DSMN1; SMN2TSHRHPGD

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 TP53 4300/4885PDE4D 6/4885SMN1; SMN2 4025/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A TP53 4300/4885PDE4D 6/4885SMN1; 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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