SCHEMBL14082484

SCHEMBL14082484

O=C(NC1CCCCC1)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.60
▸ WNT1 P04628 3/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CYP46A1 Q9Y6A2 1/20 0.60
▸ MKNK1 Q9BUB5 3/20 0.59
▸ MKNK2 Q9HBH9 3/20 0.59
▸ LMNA P02545 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ SMYD3 Q9H7B4 1/20 0.53
▸ PTPN1 P18031 1/20 0.52

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
SCHEMBL14082526 0.99 SMN1; SMN2 (0.61) DYRK1AWNT1SMN1; SMN2NPC1RAB9A
SCHEMBL14082527 0.93 NPC1 (0.69) DYRK1AWNT1SMN1; SMN2NPC1RAB9A
SCHEMBL14082548 0.85 DYRK1A (0.63) DYRK1AWNT1SMN1; SMN2NPC1RAB9A
SCHEMBL10143960 0.84 ALDH1A1 (0.77) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL4414127 0.84 ALDH1A1 (0.77) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL2983895 0.84 NPC1 (0.84) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22289346 0.84 NPC1 (0.84) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22308180 0.84 NPC1 (0.84) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL517178 0.84 NPC1 (0.74) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL518043 0.84 NPC1 (0.74) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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 (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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 DYRK1A 4872/4885WNT1 4439/4885SMN1; SMN2 2099/4885

“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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