SCHEMBL3157341

SCHEMBL3157341

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 4/20 0.61
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
PKM P14618 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
FADS1 O60427 1/20 0.57
BRD4 O60885 1/20 0.57
F10 P00742 3/20 0.56
KMT2A Q03164 4/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
SORT1 Q99523 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL3157389 0.91 RAB9A (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL3156608 0.90 F10 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL4860158 0.89 FADS1 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL1998921 0.89 F10 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL4858997 0.86 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL10063541 0.85 RAB9A (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL6107228 0.84 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL891045 0.84 NPC1 (0.54) RAB9ASMN1; SMN2NPC1TDP1FADS1
SCHEMBL14345287 0.84 SORT1 (0.73) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL799808 0.84 RAB9A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 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
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
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 US disclosed
EP-1379506-A2 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 US 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
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 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 (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-20040029874-A1 Aromatic amides F11, F12, F5 RAB9A 2097/4885SMN1; SMN2 3975/4885NPC1 1659/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 RAB9A 2470/4885SMN1; SMN2 4751/4885NPC1 2610/4885

“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.