SCHEMBL4865759

SCHEMBL4865759

Cc1ccc(NC(=O)c2cc(C)ccc2N)nc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.58
NPC1 O15118 10/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 4/20 0.58
TP53 P04637 2/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GLA P06280 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SORT1 Q99523 1/20 0.56
MITF O75030 1/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 2/20 0.54

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
SCHEMBL3160357 0.89 POLB (0.67) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL4848696 0.89 KDM4E (0.56) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL799808 0.89 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL12045548 0.87 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6949627 0.87 DEGS1 (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL4853468 0.85 NPC1 (0.70) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL31110119 0.85 NPC1 (0.70) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL8357652 0.83 NPC1 (0.56) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL4860141 0.81 KDM4E (0.77) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL25143648 0.80 NPC1 (0.63) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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 18 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
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 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 RAB9A 3682/4885NPC1 2571/4885SMN1; SMN2 3253/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 RAB9A 1432/4885NPC1 2192/4885SMN1; SMN2 2882/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI RAB9A 3125/4885NPC1 2362/4885SMN1; SMN2 2880/4885

“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.