SCHEMBL4747482

SCHEMBL4747482

NCc1ccc(C(=O)NNc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.68
GAA P10253 9/20 0.58
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC3 O15379 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
NCOR2 Q9Y618 1/20 0.56
LMNA P02545 3/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
AGTR1 P30556 1/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HDAC1 Q13547 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6677659 0.83 PTPN1 (0.65) KDM4EHDAC3HDAC6NCOR2NPC1
SCHEMBL4749020 0.82 HDAC6 (0.66) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL425101 0.82 PTGS2 (1.00) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4897180 0.81 PTGS2 (0.75) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9785877 0.80 PTGS2 (0.81) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9017504 0.80 PTGS2 (0.96) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL14004681 0.79 HDAC6 (0.66) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
Bromide SCHEMBL20984745 0.78 PTGS2 (0.70) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28137918 0.78 PTGS2 (0.70) PTGS2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9829474 0.77 PTGS2 (0.75) PTGS2GAAALDH1A1KDM4ESMN1; SMN2

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
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 PTGS2 604/4885GAA 4547/4885ALDH1A1 1359/4885

“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.