SCHEMBL4858740

SCHEMBL4858740

CSc1cnc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.61
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
KCNH2 Q12809 3/20 0.51
KLKB1 P03952 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4855462 0.90 F10 (0.61) F10ALDH1A1MEN1HTTKMT2A
SCHEMBL4848484 0.89 F10 (0.65) F10ALDH1A1NPC1RAB9AKCNH2
SCHEMBL4852753 0.84 F10 (0.61) F10KCNH2KLKB1
SCHEMBL4857507 0.82 F10 (0.66) F10ALDH1A1NPC1RAB9AKCNH2
SCHEMBL5392608 0.82 F10 (0.79) F10ALDH1A1NPC1RAB9AKCNH2
SCHEMBL4848535 0.81 F10 (0.53) F10ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3165956 0.81 F10 (0.65) F10ALDH1A1NPC1RAB9AKCNH2
SCHEMBL8356569 0.80 F10 (0.64) F10ALDH1A1MEN1HTTKMT2A
SCHEMBL3157467 0.80 NPC1 (0.62) F10ALDH1A1MEN1HTTKMT2A
SCHEMBL13315125 0.80 SMN1; SMN2 (0.77) F10ALDH1A1HTTL3MBTL1NPC1

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 6 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
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
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 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 (1 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 F10 15/4885ALDH1A1 232/4885MEN1 836/4885

“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.