SCHEMBL3775099

SCHEMBL3775099

O=C(NC1CCc2ccccc21)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 8/20 0.62
▸ TAS1R1 Q7RTX1 8/20 0.62
▸ TAS1R2 Q8TE23 7/20 0.62
▸ ALDH1A1 P00352 2/20 0.61
▸ KCNK3 O14649 2/20 0.55
▸ KCNK9 Q9NPC2 2/20 0.55
▸ MAPT P10636 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PTGES O14684 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ ACKR3 P25106 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL3768903 0.94 ALDH1A1 (0.72) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL6361268 0.84 ALDH1A1 (0.85) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL785296 0.79 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL3775418 0.79 ACKR3 (0.61) KCNK3KCNK9MAPTLMNAPTGES
SCHEMBL785412 0.79 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL2815355 0.79 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL10226890 0.77 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL785249 0.77 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL485126 0.77 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL484760 0.77 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 — — US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 — — WO claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 — — US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 — — 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 TAS1R3 3839/4885TAS1R1 3216/4885TAS1R2 3728/4885

“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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