SCHEMBL19079803

SCHEMBL19079803

C=CCn1c(CCC(=O)N2CCN(C)CC2)nc2c(c1=O)C1=C(CCCC1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ HPGD P15428 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RXFP1 Q9HBX9 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PARP1 P09874 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
SCHEMBL19079801 0.82 TSHR (0.48) MAPK1SMN1; SMN2TSHRHPGDTDP1
SCHEMBL11909359 0.59 ATM (0.44) SMN1; SMN2HSD17B10HPGDTDP1ALDH1A1
SCHEMBL6886932 0.58 CYP1A2 (0.46) MAPK1SMN1; SMN2PTPN7DUSP3HSD17B10
SCHEMBL24854624 0.56 ATM (0.58) SMN1; SMN2HSD17B10HPGDTDP1ALDH1A1
SCHEMBL1711871 0.56 TDP1 (0.48) SMN1; SMN2HSD17B10HPGDTDP1ALDH1A1
SCHEMBL13811346 0.56 L3MBTL1 (0.55) SMN1; SMN2TSHRTDP1POLBALDH1A1
SCHEMBL10195733 0.56 KMT2A (0.57) MAPK1TSHRTDP1POLBALDH1A1
SCHEMBL2379004 0.55 GPR183 (0.56) MAPK1SMN1; SMN2DUSP3TSHRHPGD
SCHEMBL3141502 0.55 FKBP1A (0.52) SMN1; SMN2TSHRTDP1POLBLMNA
SCHEMBL13621179 0.55 ALDH1A1 (0.54) SMN1; SMN2TSHRTDP1POLBALDH1A1

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 1 patent. 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

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 MAPK1 916/4885SMN1; SMN2 4025/4885PTPN7 2076/4885

“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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