SCHEMBL1075259

SCHEMBL1075259

COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3ccccc3c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.73
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 3/20 0.58
CHRM1 P11229 1/20 0.56
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.53
TP53 P04637 3/20 0.53
CNR2 P34972 2/20 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
SCHEMBL1072679 0.90 ACKR3 (0.73) ACKR3SMN1; SMN2POLBMAPTCHRM1
SCHEMBL1550008 0.90 ACKR3 (0.73) ACKR3SMN1; SMN2POLBMAPTCHRM1
SCHEMBL13762967 0.90 ACKR3 (0.69) ACKR3SMN1; SMN2POLBMAPTCHRM1
SCHEMBL14535532 0.88 SMN1; SMN2 (0.59) ACKR3SMN1; SMN2POLBMAPTCHRM1
SCHEMBL1072959 0.88 ACKR3 (0.75) ACKR3SMN1; SMN2POLBMAPTTP53
SCHEMBL1075380 0.88 ACKR3 (0.69) ACKR3SMN1; SMN2POLBMAPTCHRM1
SCHEMBL1073782 0.87 ACKR3 (0.74) ACKR3SMN1; SMN2POLBMAPTLMNA
SCHEMBL1082133 0.87 ACKR3 (0.74) ACKR3SMN1; SMN2POLBMAPTLMNA
SCHEMBL1549697 0.87 ACKR3 (0.74) ACKR3SMN1; SMN2POLBMAPTLMNA
SCHEMBL1074105 0.86 ACKR3 (0.73) ACKR3SMN1; SMN2POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B ACKR3 3624/4885SMN1; SMN2 2712/4885POLB 108/4885

“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.