SCHEMBL807442

SCHEMBL807442

Fc1cccc(F)c1CN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KDM4E B2RXH2 6/20 0.61
POLB P06746 2/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP2A13 Q16696 1/20 0.53
HTT P42858 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRIN2B Q13224 2/20 0.48
GAA P10253 1/20 0.46

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
Hydrochloric Acid SCHEMBL7405658 0.98 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28443624 0.98 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL10211855 0.98 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL16225643 0.89 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL11334386 0.86 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL10212381 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL807423 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL18360695 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL807356 0.83 MAPK1 (0.62) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL29786443 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 US disclosed
EP-3536319-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-11 EP disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
WO-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 WO disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed
WO-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 WO 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-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 ALDH1A1 2551/4885KDM4E 335/4885POLB 1492/4885

“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.