SCHEMBL6714009

SCHEMBL6714009

CCCCC[CH]N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.41
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6715588 0.98 TSHR (0.44) L3MBTL1MEN1KMT2ATDP1TSHR
SCHEMBL6722997 0.98 TSHR (0.42) L3MBTL1MEN1KMT2ATDP1TSHR
SCHEMBL6716649 0.95 TSHR (0.46) L3MBTL1MEN1KMT2ATDP1TSHR
SCHEMBL2094342 0.93 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATDP1TSHR
SCHEMBL21055025 0.91 TSHR (0.46) TSHRFAAHTRPV1
SCHEMBL4630231 0.91 TSHR (0.42) L3MBTL1MEN1KMT2ATDP1TSHR
SCHEMBL21925314 0.86 TSHR (0.44) TSHRFAAHTRPV1
SCHEMBL1448087 0.83 ALDH1A1 (0.35) L3MBTL1MEN1KMT2ATDP1TSHR
SCHEMBL1447629 0.83 ALDH1A1 (0.35) L3MBTL1MEN1KMT2ATDP1TSHR
SCHEMBL378009 0.80

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
EP-0420806-B1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed
EP-0420806-A1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA-GEIGY AG (CH) 1991-04-03 EP 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 L3MBTL1 1807/4885MEN1 4240/4885KMT2A 2407/4885

“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.