SCHEMBL880444

SCHEMBL880444

O=C1CC(c2ccc(Cl)cc2)c2ccccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.59
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.47
▸ GPBAR1 Q8TDU6 2/20 0.45
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SLC8B1 Q6J4K2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL880376 0.87 ALDH1A1 (0.58) TP53ALDH1A1LMNAMAPTPOLB
SCHEMBL7156373 0.87 ALDH1A1 (0.58) TP53ALDH1A1LMNAMAPTPOLB
SCHEMBL12698414 0.87 ALDH1A1 (0.58) TP53ALDH1A1LMNAMAPTPOLB
SCHEMBL8922504 0.85 DDB1 (0.50) TP53MAPTCYP1A2CYP2C9ALOX15
SCHEMBL30005837 0.84 LMNA (0.67) TP53ALDH1A1LMNAMAPTMEN1
SCHEMBL880264 0.84 LMNA (0.67) TP53ALDH1A1LMNAMAPTMEN1
SCHEMBL880275 0.82 TP53 (0.57) TP53ALDH1A1LMNAGPBAR1MAPT
SCHEMBL10280613 0.82 TP53 (0.57) TP53ALDH1A1LMNAGPBAR1MAPT
SCHEMBL880285 0.77 BRD4 (0.47) TP53ALDH1A1LMNAGPBAR1MAPT
SCHEMBL8919304 0.77 HTR2A (0.40) TP53ALDH1A1MEN1MAPK1KMT2A

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
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 — — EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 — — 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT TP53 1529/4885ALDH1A1 171/4885LMNA 525/4885

“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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