SCHEMBL4721779

SCHEMBL4721779

Cc1onc(-c2ccc(F)cc2)c1C(N)=S

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
GPBAR1 Q8TDU6 2/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
BACE1 P56817 3/20 0.48
PTGS2 P35354 3/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.43

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
SCHEMBL4718673 0.84 KMT2A (0.72) ALDH1A1KMT2AMEN1GAAGPBAR1
Hydrochloric Acid SCHEMBL30684627 0.83 KMT2A (0.70) ALDH1A1KMT2AMEN1GAAGPBAR1
SCHEMBL27913634 0.81 GPBAR1 (0.60) ALDH1A1KMT2AMEN1GAAGPBAR1
SCHEMBL457706 0.79 GPBAR1 (0.59) ALDH1A1KMT2AMEN1GAAGPBAR1
SCHEMBL2475844 0.79 GPBAR1 (0.59) ALDH1A1KMT2AMEN1GAAGPBAR1
SCHEMBL3068021 0.78 GPBAR1 (0.61) ALDH1A1KMT2AMEN1GAAGPBAR1
Hydrochloric Acid SCHEMBL3981907 0.78 GPBAR1 (0.57) ALDH1A1KMT2AMEN1GAAGPBAR1
SCHEMBL4721200 0.76 LMNA (0.72) ALDH1A1KMT2AMEN1GAAGPBAR1
SCHEMBL8408128 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1GAAGPBAR1
SCHEMBL2471701 0.75 GPBAR1 (0.54) ALDH1A1KMT2AMEN1GAAGPBAR1

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 ALDH1A1 4346/4885L3MBTL1 1343/4885KMT2A 3283/4885

“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.