SCHEMBL6153036

SCHEMBL6153036

CSc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSPB1 P04792 2/20 0.45
PDE7A Q13946 1/20 0.44
ESRRA P11474 1/20 0.44
LMNA P02545 5/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
EYA2 O00167 1/20 0.42
PLA2G7 Q13093 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
CDK2 P24941 1/20 0.39

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
SCHEMBL11124006 0.86 VCAM1 (0.44) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11093863 0.83 KDM4E (0.50) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11095993 0.83 VCAM1 (0.50) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5172391 0.83 ALDH1A1 (0.66) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11087491 0.83 VCAM1 (0.57) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11087204 0.83 HSPB1 (0.66) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6052442 0.82 VCAM1 (0.53) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11094289 0.82 EPAS1 (0.51) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10949482 0.81 MAPT (0.68) ALDH1A1MAPTMEN1KMT2AHSPB1
SCHEMBL11093723 0.81 VCAM1 (0.46) VCAM1ALDH1A1MAPTMEN1KMT2A

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-4254144-A Substituted benzonitriles having antiviral activity THE DOW CHEMICAL COMPANY (US) 1981-03-03 US claimed
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP disclosed
EP-1268396-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2003-01-02 EP disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US disclosed
WO-2001072687-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2001-10-04 WO disclosed
EP-0034263-B1 SUBSTITUTED BENZONITRILES AND COMPOSITIONS FOR INHIBITING VIRUSES THE DOW CHEMICAL COMPANY (US) 1984-09-26 EP disclosed
US-4332820-A ESPECIALLY EFFECTIVE AGAINST PICORNOVIRUSES THE DOW CHEMICAL COMPANY (US) 1982-06-01 US disclosed
EP-0034263-A2 Substituted benzonitriles and compositions for inhibiting viruses THE DOW CHEMICAL COMPANY (US) 1981-08-26 EP disclosed
US-4254144-A Substituted benzonitriles having antiviral activity THE DOW CHEMICAL COMPANY (US) 1981-03-03 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-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 VCAM1 3409/4885ALDH1A1 2048/4885MAPT 4539/4885

“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.