SCHEMBL6108568

SCHEMBL6108568

CN(c1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)C1CCN(c2ccnc(C(=O)O)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.44
▸ USP30 Q70CQ3 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL6105974 0.94 F10 (0.47) F10KCNH2
SCHEMBL6717550 0.90 F10 (0.45) F10USP30SMN1; SMN2NPC1RAB9A
SCHEMBL6106717 0.90 F10 (0.47) F10USP30IDO1TDO2SMN1; SMN2
SCHEMBL6108431 0.84 F10 (0.45) F10USP30SMN1; SMN2NPC1RAB9A
SCHEMBL6108386 0.83 F10 (0.49) F10KCNH2
SCHEMBL6107341 0.82 F10 (0.43) F10USP30SMN1; SMN2NPC1RAB9A
SCHEMBL6106463 0.82 F10 (0.57) F10USP30IDO1TDO2SMN1; SMN2
SCHEMBL6108572 0.81 F10 (0.47) F10HCRTR1
SCHEMBL6607911 0.80 NPC1 (0.48) F10USP30SMN1; SMN2NPC1RAB9A
SCHEMBL6107465 0.80 F10 (0.42) F10USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 — — US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 — — US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 — — EP disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 — — US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 — — US 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 F10 12/4885USP30 4609/4885IDO1 1944/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885USP30 4609/4885IDO1 1944/4885

“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.

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