SCHEMBL2739071

SCHEMBL2739071

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(P(=O)(O)O)CC3)cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.77
▸ HSD17B10 Q99714 3/20 0.73
▸ KDM4E B2RXH2 8/20 0.73
▸ ALDH1A1 P00352 7/20 0.73
▸ HTT P42858 5/20 0.73
▸ HPGD P15428 4/20 0.73
▸ LMNA P02545 3/20 0.73
▸ TSHR P16473 2/20 0.73
▸ BRD4 O60885 1/20 0.73
▸ CYP2J2 P51589 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ MEN1 O00255 7/20 0.71
▸ KMT2A Q03164 7/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ HIF1A Q16665 1/20 0.66
▸ USP2 O75604 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ GAA P10253 2/20 0.64
▸ RAD52 P43351 1/20 0.64
▸ MAPK1 P28482 1/20 0.63

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
SCHEMBL2739072 0.90 DRD3 (0.72) DRD3HSD17B10KDM4EALDH1A1HTT
SCHEMBL2739073 0.89 DRD3 (0.73) DRD3HSD17B10KDM4EALDH1A1HTT
SCHEMBL218256 0.88 DRD3 (0.72) DRD3HSD17B10KDM4EALDH1A1HTT
Pefloxacin SCHEMBL28251251 0.87 DRD3 (1.00) DRD3HSD17B10KDM4EALDH1A1HTT
Pefloxacin SCHEMBL29351730 0.87 DRD3 (1.00) DRD3HSD17B10KDM4EALDH1A1HTT
SCHEMBL10738656 0.87 DRD3 (0.84) DRD3HSD17B10KDM4EALDH1A1HTT
SCHEMBL7824014 0.87 DRD3 (0.84) DRD3HSD17B10KDM4EALDH1A1HTT
Pefloxacin SCHEMBL34292 0.87 DRD3 (1.00) DRD3HSD17B10KDM4EALDH1A1HTT
SCHEMBL11022977 0.87 DRD3 (0.83) DRD3HSD17B10KDM4EALDH1A1HTT
SCHEMBL2739074 0.87 DRD3 (0.67) DRD3HSD17B10KDM4EALDH1A1HTT

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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 — — US disclosed
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 — — US disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 — — 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 DRD3 763/4885HSD17B10 981/4885KDM4E 3018/4885

“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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