SCHEMBL3295500

SCHEMBL3295500

Cc1ccc(S(=O)(=O)Nc2nc3c(nc2OCc2ccc4c(c2)OCCN4C)CCCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ MLNR O43193 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ LMNA P02545 2/20 0.40

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
SCHEMBL3293821 0.99 ALDH1A1 (0.43) ALDH1A1HTTRECQLKMT2APTGES2
SCHEMBL3291732 0.88 KDM4E (0.46) ALDH1A1HTTRECQLKMT2APTGES2
SCHEMBL3294541 0.88 CCR4 (0.46) ALDH1A1HTTRECQLKMT2APTGES2
SCHEMBL3293237 0.85 TP53 (0.43) ALDH1A1HTTRECQLPTGES2LMNA
SCHEMBL3293263 0.84 TP53 (0.49) PTGES2LMNATHRBCCR4TP53
SCHEMBL3293552 0.84 TP53 (0.42) ALDH1A1HTTRECQLPTGES2MLNR
SCHEMBL3293223 0.84 TP53 (0.48) PTGES2LMNATHRBCCR4TP53
SCHEMBL3293992 0.83 CCR4 (0.47) CCR4TP53
SCHEMBL3294762 0.83 PTGDR2 (0.47) ALDH1A1HTTRECQLPTGES2LMNA
SCHEMBL3294714 0.83 CCR4 (0.46) CCR4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 — — US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 — — US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 — — EP 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 ALDH1A1 2497/4885HTT 4247/4885RECQL 4459/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 ALDH1A1 2497/4885HTT 4247/4885RECQL 4459/4885

“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.

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