SCHEMBL10102664

SCHEMBL10102664

O=C(O)Cc1cc2cc(Cl)ccc2nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
DHODH Q02127 2/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 3/20 0.47
GAA P10253 2/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDK1 Q15118 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CXCL8 P10145 1/20 0.43
CHRM1 P11229 1/20 0.43
CDH1 P12830 1/20 0.43

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
SCHEMBL10509302 0.84 KDM4E (0.65) KDM4EDHODHALDH1A1GAAPTGDR2
SCHEMBL3384876 0.83 KDM4E (0.53) KDM4EDHODHALDH1A1GAAPTGDR2
SCHEMBL6856940 0.82 RXRA (0.41) KDM4EALDH1A1PTGDR2CYP2C19MEN1
SCHEMBL10107733 0.80 HRH4 (0.47) KDM4EDHODHALDH1A1CYP2C9GAA
SCHEMBL28539190 0.74 PDE10A (0.69) KDM4EDHODHALDH1A1CYP2C9GAA
SCHEMBL6856769 0.73 KMO (0.39) KDM4EDHODHALDH1A1PTGDR2MEN1
SCHEMBL5908939 0.72 KDM4E (0.53) KDM4EALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL5429296 0.71 PTGDR2 (0.56) KDM4ECYP2C9PTGDR2HPGDDRD2
SCHEMBL3738386 0.71 FFAR1 (0.54) KDM4ECYP2C9PTGDR2DRD2CXCL8
SCHEMBL6856938 0.70 PTGDR2 (0.44) KDM4EALDH1A1PTGDR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B KDM4E 2071/4885DHODH 961/4885ALDH1A1 3886/4885

“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.