SCHEMBL6106717

SCHEMBL6106717

CN(c1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)C1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.47
▸ USP30 Q70CQ3 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ DEGS1 O15121 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41

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
SCHEMBL6108386 0.93 F10 (0.49) F10
SCHEMBL6107465 0.90 F10 (0.42) F10USP30DEGS1
SCHEMBL6108568 0.90 F10 (0.44) F10USP30SMN1; SMN2NPC1ALDH1A1
SCHEMBL6107816 0.89 NPC1 (0.49) F10USP30SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6108790 0.86 F10 (0.48) F10USP30ALDH1A1
SCHEMBL6106463 0.85 F10 (0.57) F10USP30SMN1; SMN2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6108098 0.84 F10 (0.49) F10
SCHEMBL6108531 0.83 F10 (0.47) F10
SCHEMBL6106784 0.83 F10 (0.52) F10USP30SMN1; SMN2NPC1ALDH1A1
SCHEMBL6105974 0.82 F10 (0.47) F10

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-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-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 — — US 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

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 4609/4885SMN1; SMN2 3975/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885USP30 4609/4885SMN1; SMN2 3975/4885

“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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