SCHEMBL6076719

SCHEMBL6076719

NS(=O)(=O)Cc1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.59
HPGD P15428 4/20 0.59
ALOX15 P16050 4/20 0.59
CYP3A4 P08684 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALOX12 P18054 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSP90AA1 P07900 2/20 0.59
HTT P42858 2/20 0.59
SLC22A1 O15245 1/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HSPD1 P10809 1/20 0.59
HSPA5 P11021 1/20 0.59
IDO1 P14902 1/20 0.59
CASP1 P29466 1/20 0.59
BLM P54132 1/20 0.59
HSPE1 P61604 1/20 0.59

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
SCHEMBL3324634 0.78 ERCC1 (0.51) CYP3A4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL3238785 0.76 PSEN1 (0.42) CA2CA1CA12CA9ERCC1
SCHEMBL1441740 0.76 CA2 (0.36) HIF1AHPGDALOX15CYP3A4MEN1
SCHEMBL622779 0.75 HPGD (0.68) HIF1AHPGDALOX15CYP3A4MEN1
Dichlorophen SCHEMBL16619827 0.75 CYP3A4 (0.91) HIF1AHPGDALOX15CYP3A4MEN1
SCHEMBL364080 0.75 HIF1A (0.68) HIF1AHPGDALOX15CYP3A4MEN1
SCHEMBL6077099 0.75 CA1 (0.52) HPGDMEN1KMT2ALMNACA2
Dichlorophen SCHEMBL9109126 0.74 CYP3A4 (1.00) HIF1AHPGDALOX15CYP3A4MEN1
Dichlorophen SCHEMBL29524636 0.74 CYP3A4 (1.00) HIF1AHPGDALOX15CYP3A4MEN1
Dichlorophen SCHEMBL18052 0.74 CYP3A4 (1.00) HIF1AHPGDALOX15CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 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 (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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 HIF1A 1037/4885HPGD 1457/4885ALOX15 1211/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 HIF1A 1192/4885HPGD 2160/4885ALOX15 1543/4885

“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.