SCHEMBL6499218

SCHEMBL6499218

O=C(OCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 4/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 2/20 0.33
CYP2D6 P10635 2/20 0.33
NR1I2 O75469 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL6508814 0.92 ATF1 (0.30)
SCHEMBL6501528 0.88 L3MBTL1 (0.36) LMNACYP2C19NPSR1NPC1RAB9A
SCHEMBL6510626 0.88 TDP1 (0.34) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL6497945 0.87 NTRK1 (0.30)
SCHEMBL6501686 0.87 NPSR1 (0.39) MEN1KMT2AALDH1A1NPSR1NPC1
Trifluoroacetic Acid SCHEMBL6504699 0.85
SCHEMBL6503874 0.84 KMT2A (0.36) KMT2ACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL6503577 0.84 ALDH1A1 (0.34) LMNAKMT2AALDH1A1HPGDNPSR1
SCHEMBL6506231 0.83 KMT2A (0.37) KMT2AALDH1A1RAB9AGAAUSP2
SCHEMBL6500555 0.80 L3MBTL1 (0.35) MEN1KMT2ACYP1A2ALDH1A1HPGD

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 LMNA 1964/4885MEN1 979/4885KMT2A 3213/4885

“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.