SCHEMBL6374745

SCHEMBL6374745

COC(=O)c1ccc(-c2ccc(N3CCc4ccccc4C3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.55
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ EED O75530 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL30109340 0.96 LIPE (0.58) LIPENPC1RAB9ANAMPTALDH1A1
SCHEMBL30109397 0.84 LIPE (0.51) LIPENPC1NAMPTALDH1A1KMT2A
SCHEMBL6379837 0.84 MAOB (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL6380662 0.83 MEN1 (0.54) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL30109408 0.82 ALDH1A1 (0.54) LIPENPC1RAB9AALDH1A1EED
SCHEMBL17869278 0.82 NPC1 (0.58) LIPENPC1RAB9AALDH1A1KMT2A
SCHEMBL28459399 0.80 RAB9A (0.79) NPC1RAB9ANAMPTALDH1A1KMT2A
SCHEMBL14158144 0.80 ESR1 (0.54) LIPENPC1RAB9AALDH1A1
SCHEMBL16061897 0.79 MEN1 (0.57) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL30109424 0.79 MEN1 (0.57) NPC1RAB9AALDH1A1KMT2AMEN1

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-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 — — 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-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 LIPE 1489/4885NPC1 705/4885RAB9A 2517/4885

“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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