SCHEMBL2290753

SCHEMBL2290753

CNc1ccc(CNC(=O)c2ccc(SC(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 6/20 0.51
KMT2A Q03164 6/20 0.50
EPHX2 P34913 5/20 0.50
NR1H4 Q96RI1 5/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL2288051 0.83 ALDH1A1 (0.65) SMN1; SMN2HTTLMNAKMT2AEPHX2
SCHEMBL2286115 0.82 EPHX2 (0.74) LMNAEPHX2NR1H4MAPTHDAC1
SCHEMBL22193541 0.79 EPHX2 (0.68) SMN1; SMN2RAB9AKMT2AEPHX2NR1H4
SCHEMBL2284438 0.76 MEN1 (0.76) SMN1; SMN2RAB9ANPC1HTTLMNA
SCHEMBL27805770 0.75 CA2 (0.51) LMNAKMT2AEPHX2NR1H4MEN1
SCHEMBL3427311 0.74 CHRNA7 (0.64) KMT2AEPHX2MEN1ALDH1A1KDM4E
SCHEMBL3401713 0.73 CACNA1G (0.46) SMN1; SMN2RAB9ANPC1HTTLMNA
SCHEMBL3047824 0.73 ESRRG (0.56) SMN1; SMN2RAB9ANPC1HTTLMNA
Formic Acid SCHEMBL4398916 0.72 MEN1 (0.69) SMN1; SMN2RAB9ANPC1HTTLMNA
SCHEMBL9838298 0.71 LMNA (0.45) SMN1; SMN2RAB9ANPC1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US claimed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US claimed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 US claimed
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US disclosed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US disclosed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 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-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 SMN1; SMN2 1018/4885RAB9A 1798/4885NPC1 3791/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 SMN1; SMN2 1018/4885RAB9A 1798/4885NPC1 3791/4885

“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.