SCHEMBL19079847

SCHEMBL19079847

CC1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1C(C)C)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL19079844 0.87 ALDH1A1 (0.67) CREBBPALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL19079699 0.84 PDE4D (0.63) CREBBPALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL19079866 0.84 PDE4D (0.63) CREBBPALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL19079842 0.84 PDE4D (0.63) CREBBPALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL19079668 0.84 TSHR (0.68) CREBBPALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL19079832 0.74 PDE4D (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL19090635 0.73 TSHR (0.67) CREBBPALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL19090740 0.73 PDE4D (0.62) CREBBPALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL19079849 0.70 PDE4D (0.65) CREBBPALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4732712 0.69 ALDH1A1 (0.68) CREBBPALDH1A1SMN1; SMN2KMT2AMEN1

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 CREBBP 527/4885ALDH1A1 1503/4885SMN1; SMN2 4025/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A CREBBP 527/4885ALDH1A1 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.

Send feedback