SCHEMBL21159191

SCHEMBL21159191

CC(C)c1ncc(-c2ccc3c(c2)c(C(C)O)nn3CC(=O)OC(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFD P00746 13/20 0.42
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL21159405 0.90 CFD (0.40) CFDKDM4EALDH1A1MAPTLMNA
SCHEMBL20992364 0.90 CFD (0.40) CFDKDM4EALDH1A1MAPTLMNA
SCHEMBL21159406 0.87 CFD (0.40) CFDKDM4EALDH1A1MAPT
SCHEMBL18591335 0.86 CFD (0.46) CFD
SCHEMBL29841336 0.86 CFD (0.46) CFD
SCHEMBL21752287 0.85 CFD (0.45) CFD
SCHEMBL20992372 0.85 CFD (0.39) CFDKDM4EALDH1A1MAPTLMNA
SCHEMBL18573729 0.82 HTR6 (0.39) CFDKDM4EALDH1A1MAPTLMNA
SCHEMBL18611085 0.80 GSK3B (0.36) CFDKDM4EALDH1A1WNT1GSK3B
SCHEMBL21159501 0.80 HDAC8 (0.38) CFDKDM4EALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 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 (3 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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CFD 1/4885KDM4E 4387/4885ALDH1A1 1682/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CFD 1/4885KDM4E 4286/4885ALDH1A1 1847/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CFD 1/4885KDM4E 4387/4885ALDH1A1 1682/4885

“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.