SCHEMBL6556635

SCHEMBL6556635

CC(C)Sc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 13/20 0.57
PDE7B Q9NP56 5/20 0.57
PDE4B Q07343 1/20 0.57
PDE4D Q08499 1/20 0.57
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
USP7 Q93009 1/20 0.47
VCAM1 P19320 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2847249 0.90 PDE7A (0.57) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL10652731 0.83 ALDH1A1 (0.55) PDE7APDE7BPDE4BPDE4DHPGD
SCHEMBL282648 0.81 TSHR (0.56) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11815832 0.81 VCAM1 (0.42) PDE7APDE7BPDE4BPDE4DHPGD
SCHEMBL8669659 0.81 PDE7A (0.61) PDE7APDE7BPDE4BPDE4DHPGD
SCHEMBL6516022 0.80 PDE7A (0.65) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL1026140 0.80 TXNRD1 (0.42) PDE7APDE7BPDE4BPDE4DMEN1
SCHEMBL11432656 0.80 ALDH1A1 (0.54) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL6558543 0.80 PDE7A (0.54) PDE7APDE7BPDE4BPDE4DMAPK1
SCHEMBL11603010 0.79 PDE7A (0.63) PDE7APDE7BPDE4BPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976725-B1 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers BAYER CHEMICALS AG (DE) 2004-03-03 EP claimed
US-6077974-A Process for the continuous preparation of amino-halo-genophenyl alkyl thioethers BAYER AKTIENGESELLSCHAFT (DE) 2000-06-20 US claimed
EP-0976725-A2 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers Bayer Aktiengesellschaft (DE) 2000-02-02 EP claimed
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
EP-0976725-B1 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers BAYER CHEMICALS AG (DE) 2004-03-03 EP disclosed
US-6077974-A Process for the continuous preparation of amino-halo-genophenyl alkyl thioethers BAYER AKTIENGESELLSCHAFT (DE) 2000-06-20 US disclosed
EP-0976725-A2 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers Bayer Aktiengesellschaft (DE) 2000-02-02 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 (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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK PDE7A 3077/4885PDE7B 3597/4885PDE4B 1200/4885

“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.