SCHEMBL2825941

SCHEMBL2825941

CC(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
VCAM1 P19320 4/20 0.47
KIF18A Q8NI77 1/20 0.47
TXNRD1 Q16881 1/20 0.46
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
CCR2 P41597 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL14866071 0.87 KIF18A (0.57) TSHRMAPK1VCAM1KIF18ATXNRD1
SCHEMBL283668 0.82 TSHR (0.55) TSHRVCAM1TXNRD1SMN1; SMN2
SCHEMBL1491788 0.81 TXNRD1 (0.46) TSHRVCAM1TXNRD1SMN1; SMN2POLB
SCHEMBL2060749 0.81 ATM (0.56) TSHRVCAM1TXNRD1ALDH1A1LMNA
SCHEMBL2062571 0.80 MAPK1 (0.58) TSHRMAPK1VCAM1KIF18AMAPT
SCHEMBL6130574 0.79 VCAM1 (0.58) TSHRMAPK1VCAM1KIF18AMAPT
SCHEMBL3891593 0.78 TXNRD1 (0.43) TSHRMAPK1VCAM1TXNRD1MAPT
SCHEMBL14866258 0.78 TXNRD1 (0.54) MAPK1TXNRD1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3891584 0.78 TXNRD1 (0.43) TSHRMAPK1VCAM1TXNRD1PKM
SCHEMBL2061146 0.78 MAPT (0.55) TSHRMAPK1VCAM1TXNRD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP 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 (2 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK TSHR 3244/4885MAPK1 972/4885VCAM1 3660/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK TSHR 3244/4885MAPK1 972/4885VCAM1 3660/4885

“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.