SCHEMBL5595100

SCHEMBL5595100

O=C(Nc1cc(-c2ccccc2)ccc1O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
LMNA P02545 3/20 0.61
MAPT P10636 3/20 0.61
NPC1 O15118 1/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC1 Q13547 10/20 0.57
KDM4E B2RXH2 2/20 0.57
APOBEC3A P31941 1/20 0.57
GFER P55789 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
HDAC2 Q92769 1/20 0.56
MAPK14 Q16539 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL5950146 0.83 KDM4E (0.71) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL27575357 0.82 MEN1 (0.71) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL5594611 0.80 MEN1 (0.63) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL7551297 0.80 HDAC1 (0.63) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL5594888 0.80 HDAC1 (0.67) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL10710090 0.79 MEN1 (0.79) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL7549187 0.78 CXCR2 (0.60) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL5594891 0.78 MEN1 (0.64) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL7489083 0.77 CXCR2 (0.69) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL3716989 0.76 CXCR2 (0.64) MEN1KMT2ALMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN MEN1 4754/4885KMT2A 3978/4885LMNA 4366/4885

“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.