SCHEMBL19079691

SCHEMBL19079691

O=C(CSc1nc2sccc2c(=O)n1C1CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ POLB P06746 4/20 0.53
▸ SLC22A12 Q96S37 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ TSHR P16473 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL19079694 0.86 PDE4D (0.76) PDE4DSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL19079707 0.85 PDE4D (0.74) PDE4DSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL19079770 0.83 PDE4D (0.71) PDE4DSMN1; SMN2POLBSLC22A12ALDH1A1
SCHEMBL19079679 0.82 PDE4D (0.70) PDE4DSMN1; SMN2POLBSLC22A12ALDH1A1
SCHEMBL19090340 0.81 PDE4D (0.69) PDE4DSMN1; SMN2POLBSLC22A12ALDH1A1
SCHEMBL19079769 0.81 PDE4D (0.68) PDE4DSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL19079860 0.81 PDE4D (0.67) PDE4DSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL19079704 0.80 PDE4D (1.00) PDE4DSMN1; SMN2POLBSLC22A12ALDH1A1
SCHEMBL19079884 0.80 PDE4D (0.66) PDE4DSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL19079732 0.80 PDE4D (0.66) PDE4DSMN1; SMN2GAACYP2C9CYP2C19

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 PDE4D 6/4885SMN1; SMN2 4025/4885GAA 923/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885SMN1; SMN2 4025/4885GAA 923/4885

“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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