SCHEMBL6656871

SCHEMBL6656871

O=S(=O)(OCCc1cccc2ccccc12)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
CA2 P00918 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MTNR1A P48039 1/20 0.38
KCNA5 P22460 2/20 0.37
SCN5A Q14524 2/20 0.37
GPR84 Q9NQS5 2/20 0.37
MMP9 P14780 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9740695 0.88 NQO2 (0.48) NQO2CA2CA12CA1CA4
SCHEMBL5966612 0.86 NQO2 (0.47) NQO2CA2CA12CA1CA4
SCHEMBL29596281 0.86 NQO2 (0.47) NQO2CA2CA12CA1CA4
SCHEMBL12405342 0.76 NQO2 (0.58) NQO2CA2KDM4EALDH1A1MTNR1A
SCHEMBL11222461 0.75 PLCG1 (0.52) CA2CA12CA1CA9LMNA
SCHEMBL1903920 0.74 MTNR1A (0.58) NQO2MTNR1A
Ethylene Glycol SCHEMBL4591884 0.72 NQO2 (0.47) NQO2CA2CA12CA1CA9
SCHEMBL16232221 0.72 MTNR1A (0.56) NQO2MTNR1A
SCHEMBL5748460 0.71 LMNA (0.48) CA2CA12CA1CA9LMNA
SCHEMBL548862 0.71 NQO2 (0.46) NQO2CA2CA12CA1CA9

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
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 WO 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-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 NQO2 2262/4885CA2 3069/4885CA12 4879/4885

“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.