SCHEMBL4013097

SCHEMBL4013097

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2nc(N3CCOCC3)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
LMNA P02545 3/20 0.49
NAMPT P43490 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
CXCR4 P61073 1/20 0.46
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
MEN1 O00255 1/20 0.45
FGB P02675 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
PABPC1 P11940 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45

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
SCHEMBL4013046 0.91 ALDH1A1 (0.53) LMNANAMPTALDH1A1MAPTCXCR4
SCHEMBL1413704 0.81 HTR6 (0.56) TP53LMNANAMPTNPSR1ALDH1A1
SCHEMBL4006291 0.81 CXCR4 (0.53) LMNAALDH1A1MAPTCXCR4KMT2A
SCHEMBL4012307 0.80 CXCR4 (0.53) LMNAALDH1A1CXCR4HDAC1
SCHEMBL4007300 0.80 CXCR4 (0.53) LMNAALDH1A1MAPTCXCR4KMT2A
SCHEMBL4013129 0.79 ALDH1A1 (0.48) LMNAALDH1A1MAPTCXCR4KMT2A
SCHEMBL4002900 0.78 CCR1 (0.49) TP53LMNANAMPTALDH1A1CXCR4
SCHEMBL1413604 0.75 LMNA (0.50) TP53LMNANAMPTNPSR1ALDH1A1
SCHEMBL1413646 0.74 HTR6 (0.53) LMNANAMPTNPSR1ALDH1A1MAPT
SCHEMBL13689663 0.73 CXCR4 (0.44) ALDH1A1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 TP53 4595/4885LMNA 1948/4885NAMPT 574/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG TP53 4632/4885LMNA 2183/4885NAMPT 656/4885

“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.