SCHEMBL6107816

SCHEMBL6107816

CN(c1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCN(c2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ F10 P00742 12/20 0.46
▸ USP30 Q70CQ3 1/20 0.44
▸ DEGS1 O15121 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BDKRB1 P46663 1/20 0.43

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 0.92 F10 (0.49) F10
SCHEMBL6607911 0.89 NPC1 (0.48) NPC1ALOX15HTTRAB9ASMN1; SMN2
SCHEMBL6106717 0.89 F10 (0.47) NPC1RAB9ASMN1; SMN2TDP1F10
SCHEMBL6107465 0.89 F10 (0.42) F10USP30DEGS1
SCHEMBL6108431 0.88 F10 (0.45) NPC1ALOX15HTTRAB9ASMN1; SMN2
SCHEMBL6717550 0.88 F10 (0.45) NPC1ALOX15HTTRAB9ASMN1; SMN2
SCHEMBL6108150 0.87 F10 (0.51) NPC1ALOX15HTTRAB9ASMN1; SMN2
SCHEMBL7356449 0.87 NPC1 (0.45) NPC1ALOX15HTTRAB9ASMN1; SMN2
SCHEMBL6109410 0.86 DEGS1 (0.48) NPC1ALOX15HTTRAB9ASMN1; SMN2
SCHEMBL6109172 0.86 USP30 (0.45) NPC1ALOX15HTTRAB9ASMN1; SMN2

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 NPC1 1659/4885ALOX15 2156/4885HTT 2573/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 NPC1 1659/4885ALOX15 2156/4885HTT 2573/4885

“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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