SCHEMBL2676229

SCHEMBL2676229

N=Cc1cccc2c1OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
ADRB1 P08588 1/20 0.42
LMNA P02545 3/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 4/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1012582 0.81 KDM4E (0.61) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL3026099 0.79 KDM4E (0.54) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL1253612 0.78 KDM4E (0.53) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL2089139 0.76 KDM4E (0.60) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL2089142 0.76 KDM4E (0.60) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL4547390 0.75 KDM4E (0.50) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL30730247 0.75 KDM4E (0.54) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL2401925 0.73 KDM4E (0.61) KDM4EITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL3072409 0.73 ITGB2 (0.55) KDM4EITGB2ICAM1ITGALADRB1
SCHEMBL1536574 0.71 KDM4E (1.00) KDM4EHTTMTNR1AALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010528-B1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-8710048-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2014-04-29 US disclosed
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-8173689-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2012-05-08 US disclosed
US-20100280006-A1 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2010-11-04 US disclosed
US-7553854-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-06-30 US disclosed
EP-2010528-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING Novartis Pharma AG (CH) 2009-01-07 EP disclosed
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG 2008-02-21 US disclosed
WO-2007121484-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2007-10-25 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 (3 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-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling CSF1R, CSF3R, FLT3 KDM4E 2499/4885ITGB2 1800/4885ICAM1 676/4885
US-20100280006-A1 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling CSF1R, CSF3R, FLT3 KDM4E 2499/4885ITGB2 1800/4885ICAM1 676/4885
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING CSF1R, CSF3R, FLT3 KDM4E 2499/4885ITGB2 1800/4885ICAM1 676/4885

“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.