SCHEMBL13210545

SCHEMBL13210545

CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)nc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ POLB P06746 2/20 1.00
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ LMNA P02545 1/20 0.74
▸ RAB9A P51151 3/20 0.68
▸ NPC1 O15118 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ P4HTM Q9NXG6 4/20 0.65
▸ USP2 O75604 1/20 0.58
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KCNK3 O14649 1/20 0.54
▸ KCNK9 Q9NPC2 1/20 0.54
▸ TP53 P04637 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
SCHEMBL13210583 0.88 ALDH1A1 (0.79) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13210546 0.82 ALDH1A1 (0.70) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13210581 0.81 ALDH1A1 (1.00) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30834320 0.81 ALDH1A1 (1.00) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13986890 0.80 RAB9A (0.77) ALDH1A1POLBMEN1KMT2ARAB9A
SCHEMBL13210715 0.79 P4HTM (0.78) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13210711 0.79 P4HTM (0.78) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13210717 0.79 ALDH1A1 (0.65) ALDH1A1POLBRAB9ANPC1KDM4E
SCHEMBL13210529 0.78 RAB9A (0.71) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL7745878 0.78 KCNK3 (0.82) POLBMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 — — US disclosed
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 — — 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-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE CBR3, CYCS, CYC1 ALDH1A1 3151/4885POLB 3734/4885SMN1; SMN2 4228/4885

“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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