SCHEMBL14005302

SCHEMBL14005302

NCCCCN(Cc1ccccc1)Cc1ccc(C(=O)NNc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
HDAC1 Q13547 6/20 0.47
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 3/20 0.47
NCOR2 Q9Y618 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LIMK2 P53671 1/20 0.45
PTPN1 P18031 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
RORC P51449 1/20 0.42

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
SCHEMBL4748582 0.96 PTGS2 (0.51) PTGS2HDAC1HDAC3HDAC2HDAC8
SCHEMBL4748136 0.87 CXCR4 (0.42) PTGS2HDAC1HDAC3HDAC2HDAC8
SCHEMBL4744997 0.85 ACHE (0.51) PTGS2HDAC1HDAC3HDAC2HDAC8
SCHEMBL14005301 0.81 MAOB (0.58) ALDH1A1
SCHEMBL4896588 0.80 MAOB (0.58) ALDH1A1
SCHEMBL4745161 0.80 PTGS2 (0.44) PTGS2HDAC1HDAC3HDAC2HDAC8
SCHEMBL4747482 0.77 PTGS2 (0.68) PTGS2HDAC1HDAC3NCOR2KDM4E
SCHEMBL5741392 0.77 MAOA (0.54) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL14005295 0.75 HDAC1 (0.46) PTGS2HDAC1HDAC3HDAC2HDAC8
SCHEMBL8708196 0.75 HDAC3 (0.54) HDAC1HDAC3HDAC2HDAC8NCOR2

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 3 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
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 604/4885HDAC1 803/4885HDAC3 1391/4885

“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.