SCHEMBL1022149

SCHEMBL1022149

CCOC(=O)C=CNc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPK1 P28482 2/20 0.59
NPC1 O15118 6/20 0.54
PKM P14618 3/20 0.54
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 10/20 0.52
LMNA P02545 3/20 0.52
THRB P10828 1/20 0.52
GAA P10253 3/20 0.50
MDM2 Q00987 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MDM4 O15151 1/20 0.50

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
SCHEMBL1022553 1.00 RAB9A (0.59) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL14482464 0.87 DHODH (0.64) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL28126476 0.84 RAB9A (0.52) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL12745916 0.84 MAPT (0.51) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL8894560 0.83 GAA (0.53) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL10565187 0.82 RAB9A (0.59) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL2549557 0.82 RAB9A (0.59) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL12746574 0.82 MAPT (0.47) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL3073074 0.82 HCAR2 (0.63) RAB9AMEN1KMT2AMAPK1NPC1
SCHEMBL3073071 0.82 HCAR2 (0.63) RAB9AMEN1KMT2AMAPK1NPC1

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 14 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
US-RE32975-E FUNGICIDES, BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4284629-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US 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 RAB9A 1645/4885MEN1 1755/4885KMT2A 1633/4885

“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.