SCHEMBL19079706

SCHEMBL19079706

CC(C1CC1)n1c(CCC(=O)c2ccccc2)nc2c(c1=O)C=CC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.40
▸ USP1 O94782 4/20 0.34
▸ LMNA P02545 1/20 0.33
▸ APLNR P35414 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL19079769 0.62 PDE4D (0.68) LMNARAB9A
SCHEMBL27591071 0.62 L3MBTL1 (0.44) HSD11B1LMNAHPGDRAB9A
SCHEMBL11404811 0.59 L3MBTL1 (0.41) LMNASIGMAR1
SCHEMBL11341092 0.59 L3MBTL1 (0.41) LMNASIGMAR1
SCHEMBL27609548 0.59 TDP1 (0.47) LMNAHPGDRAB9A
SCHEMBL14605809 0.58 HSD11B1 (1.00) HSD11B1
Methylamine SCHEMBL27590925 0.57 TDP1 (0.44) LMNAHPGDRAB9A
SCHEMBL27590827 0.57 KMT2A (0.47) LMNAHPGDRAB9A
SCHEMBL10070201 0.56 L3MBTL1 (0.60) LMNASIGMAR1RAB9A
SCHEMBL2515036 0.56 TSHR (0.56) LMNASIGMAR1HPGD

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-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 (1 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-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A HSD11B1 1310/4885USP1 862/4885LMNA 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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