SCHEMBL13492789

SCHEMBL13492789

C[C@@H](c1ccncc1)[C@H](C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HTT P42858 1/20 0.59
▸ NPC1 O15118 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ DPP4 P27487 2/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL1085011 0.86 ALDH1A1 (0.53) ALDH1A1HTTNPC1GAAKMT2A
SCHEMBL3455711 0.80 ALDH1A1 (0.75) ALDH1A1HTTNPC1GAAKMT2A
SCHEMBL31329281 0.76 ALDH1A1 (0.97) ALDH1A1HTTNPC1GAAKMT2A
SCHEMBL12324732 0.74 ALDH1A1 (0.54) ALDH1A1HTTGAAKMT2ATSHR
SCHEMBL8214262 0.72 ALDH1A1 (0.50) ALDH1A1HTTNPC1GAAKMT2A
Hydrochloric Acid SCHEMBL4745810 0.71 CYP19A1 (0.47) ALDH1A1HTTGAAKMT2ATSHR
SCHEMBL2895681 0.71 LMNA (0.47) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL16477703 0.68 ALDH1A1 (0.40) ALDH1A1HTTNPC1GAAKMT2A
SCHEMBL4766524 0.67 TSHR (0.40) ALDH1A1HTTKMT2ATSHRSMN1; SMN2
SCHEMBL21852247 0.66 ALDH1A1 (0.63) ALDH1A1NPC1GAAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048642-A1 METHODS FOR TREATING COGNITIVE DISORDERS ALLERGAN, INC. (US) 2010-02-25 — — 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-20100048642-A1 METHODS FOR TREATING COGNITIVE DISORDERS CHAT, SLC18A3, SLC18A2 ALDH1A1 1852/4885HTT 457/4885NPC1 158/4885

“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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