SCHEMBL20150253

SCHEMBL20150253

Cc1c(Br)c(-c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.40
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRA P10827 5/20 0.34
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
GRK5 P34947 1/20 0.34
LIMK1 P53667 1/20 0.34
NMT1 P30419 1/20 0.34
MAPT P10636 5/20 0.34
MITF O75030 1/20 0.33
ALPL P05186 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL20150254 0.88 THRB (0.39) THRBPOLBALDH1A1LMNAL3MBTL1
SCHEMBL20150252 0.79 TYK2 (0.42) THRBPOLBL3MBTL1THRAMAPT
SCHEMBL31063878 0.72 THRB (0.39) THRBPOLBALDH1A1LMNATHRA
SCHEMBL30184633 0.70 VCAM1 (0.44) THRBPOLBVCAM1MEN1KMT2A
SCHEMBL17785771 0.70 VCAM1 (0.44) THRBPOLBVCAM1MEN1KMT2A
SCHEMBL15703077 0.68 TSHR (0.60) THRBSMN1; SMN2VCAM1MEN1KMT2A
SCHEMBL30908542 0.68 TSHR (0.60) THRBSMN1; SMN2VCAM1MEN1KMT2A
SCHEMBL20092631 0.67 TYK2 (0.41) POLBALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL20150212 0.65 ERN1 (0.45) THRBPOLBLMNAMAPTHTT
SCHEMBL15332248 0.64 MAPT (0.40) POLBALDH1A1LMNAMAPK1CHEK1

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 THRB 758/4885POLB 1657/4885ALDH1A1 4827/4885

“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.