SCHEMBL4858997

SCHEMBL4858997

Nc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
TDP1 Q9NUW8 1/20 0.67
BRD4 O60885 1/20 0.59
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
TSHR P16473 3/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
HTT P42858 2/20 0.56
ALOX15 P16050 1/20 0.56
SORT1 Q99523 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
F10 P00742 2/20 0.52
PTK2 Q05397 1/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51

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
SCHEMBL3157341 0.86 RAB9A (0.61) SMN1; SMN2TDP1BRD4RAB9ANPC1
SCHEMBL1998921 0.86 F10 (0.60) SMN1; SMN2TDP1BRD4RAB9ANPC1
SCHEMBL3157389 0.85 RAB9A (0.62) SMN1; SMN2TDP1BRD4RAB9ANPC1
SCHEMBL3151641 0.84 SORT1 (0.61) SMN1; SMN2TDP1BRD4RAB9ANPC1
SCHEMBL4856290 0.83 POLB (0.63) SMN1; SMN2TDP1BRD4RAB9ANPC1
SCHEMBL6590611 0.82 NPC1 (0.58) SMN1; SMN2TDP1RAB9ANPC1ALDH1A1
SCHEMBL5065468 0.82 NPC1 (0.70) SMN1; SMN2TDP1BRD4RAB9ANPC1
SCHEMBL10063541 0.82 RAB9A (0.54) SMN1; SMN2TDP1BRD4RAB9ANPC1
SCHEMBL799808 0.81 RAB9A (0.63) SMN1; SMN2TDP1RAB9ANPC1TSHR
SCHEMBL6107228 0.81 RAB9A (0.53) SMN1; SMN2TDP1BRD4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1456175-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
US-20040097491-A1 Substituted heterocyclic amides HERRON DAVID KENT (US) 2004-05-20 US disclosed
US-20040058959-A1 Substituted carboxamides HERRON DAVID KENT (US) 2004-03-25 US disclosed
EP-1379506-A2 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed
EP-1307444-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2003-05-07 EP disclosed
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 WO disclosed
WO-2002010154-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2002-02-07 WO 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 (3 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-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity F11, SERPINC1, TFPI SMN1; SMN2 3253/4885TDP1 1475/4885BRD4 442/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 SMN1; SMN2 2882/4885TDP1 3417/4885BRD4 2256/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI SMN1; SMN2 2880/4885TDP1 3644/4885BRD4 860/4885

“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.