SCHEMBL9607572

SCHEMBL9607572

CC(=O)Nc1cccc(Cl)c1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.44
PDK1 Q15118 4/20 0.44
PDK2 Q15119 4/20 0.44
PDK3 Q15120 4/20 0.44
PDK4 Q16654 4/20 0.44

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
SCHEMBL10046434 0.87 SMN1; SMN2 (0.58) SMN1; SMN2HTTMEN1KMT2AMAPK1
SCHEMBL3438880 0.79 HTT (0.50) SMN1; SMN2HTTMEN1KMT2AMAPK1
SCHEMBL3612815 0.78 MEN1 (0.67) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL30623497 0.78 MEN1 (0.67) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL29524654 0.77 HPGD (0.66) HTTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL646296 0.77 HPGD (0.66) HTTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL476919 0.77 LMNA (0.69) SMN1; SMN2MAPK1ALDH1A1HPGDLMNA
SCHEMBL13043443 0.77 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AMAPK1PKM
Hydrochloric Acid SCHEMBL28564415 0.77 MEN1 (0.65) SMN1; SMN2MEN1KMT2AMAPK1PKM
SCHEMBL3785379 0.77 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AMAPK1PKM

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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH SMN1; SMN2 398/4885HTT 2006/4885MEN1 248/4885

“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.