SCHEMBL3768903

SCHEMBL3768903

O=C(NC1CCCc2ccccc21)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.72
▸ TAS1R3 Q7RTX0 9/20 0.68
▸ TAS1R1 Q7RTX1 9/20 0.68
▸ TAS1R2 Q8TE23 8/20 0.68
▸ LMNA P02545 1/20 0.62
▸ HTT P42858 1/20 0.61
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CFD P00746 2/20 0.55

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
SCHEMBL3775099 0.94 TAS1R3 (0.62) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL700730 0.81 TAS1R3 (1.00) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL700729 0.81 TAS1R3 (1.00) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL7615430 0.81 APOB (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL3775418 0.79 ACKR3 (0.61) LMNAKMT2AMEN1
SCHEMBL701855 0.78 TAS1R3 (1.00) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL701854 0.78 TAS1R3 (1.00) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL785465 0.78 ALDH1A1 (0.72) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL2817561 0.78 ALDH1A1 (0.72) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL788838 0.78 ALDH1A1 (0.72) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA

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 ALDH1A1 479/4885TAS1R3 3839/4885TAS1R1 3216/4885

“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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