SCHEMBL1266938

SCHEMBL1266938

CC(C)(C)N(C(=O)O)C1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2Nc2ccc(F)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
C5AR1 P21730 1/20 0.34
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
PRSS12 P56730 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 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
SCHEMBL1266714 0.96 SMO (0.36) SMOALDH1A1LMNARECQLSMN1; SMN2
SCHEMBL1266721 0.96 SMO (0.36) SMOALDH1A1LMNARECQLSMN1; SMN2
SCHEMBL1266549 0.93 ALDH1A1 (0.35) SMOALDH1A1LMNARECQLSMN1; SMN2
SCHEMBL1267323 0.90 SMO (0.39) SMOALDH1A1LMNARECQLSMN1; SMN2
SCHEMBL1267400 0.87 HTR7 (0.37) SMOALDH1A1LMNARECQLC5AR1
SCHEMBL1266507 0.87 HTR7 (0.37) SMOALDH1A1LMNARECQLC5AR1
SCHEMBL1266526 0.87 ALDH1A1 (0.41) ALDH1A1LMNARECQLSMN1; SMN2HTR2A
SCHEMBL1266862 0.86 ALDH1A1 (0.41) ALDH1A1LMNARECQLSMN1; SMN2HTR2A
SCHEMBL2955571 0.85 ALDH1A1 (0.43) ALDH1A1LMNARECQLSMN1; SMN2KDM4E
SCHEMBL3836653 0.85 ALDH1A1 (0.40) ALDH1A1LMNARECQLSMN1; SMN2KDM4E

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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 SMO 4427/4885ALDH1A1 4333/4885LMNA 3754/4885

“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.