SCHEMBL2847249

SCHEMBL2847249

CC(C)Sc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 11/20 0.57
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
PDE7B Q9NP56 4/20 0.52
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP7 Q93009 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
VCAM1 P19320 1/20 0.42

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
SCHEMBL6556635 0.90 PDE7A (0.57) PDE7AMAPK1TSHRPDE7BKMT2A
SCHEMBL10651794 0.83 PDE7A (0.51) PDE7AMAPK1TSHRPDE7BLMNA
SCHEMBL10127002 0.81 TSHR (0.56) PDE7ATSHRLMNAKMT2AALDH1A1
SCHEMBL2545546 0.81 MAPK1 (0.58) PDE7AMAPK1TSHRPDE7BLMNA
SCHEMBL11413362 0.80 TSHR (0.53) PDE7AMAPK1TSHRPDE7BLMNA
SCHEMBL2061399 0.80 ATM (0.58) PDE7AMAPK1TSHRKMT2AALDH1A1
SCHEMBL1491752 0.80 PDE7A (0.39) PDE7AMAPK1TSHRPDE7BLMNA
SCHEMBL30886771 0.79 PDE7A (0.51) PDE7AMAPK1LMNAKMT2AALDH1A1
SCHEMBL2593514 0.79 PDE7A (0.51) PDE7AMAPK1LMNAKMT2AALDH1A1
SCHEMBL11815832 0.78 VCAM1 (0.42) PDE7AMAPK1TSHRPDE7BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US claimed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US claimed
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
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
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US disclosed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 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 (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 PDE7A 3077/4885MAPK1 972/4885TSHR 3244/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK PDE7A 3077/4885MAPK1 972/4885TSHR 3244/4885

“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.