SCHEMBL3051189

SCHEMBL3051189

Cc1cc(Cl)c2cccc(OCCNC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
SCN9A Q15858 1/20 0.47
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
BDKRB2 P30411 1/20 0.42
NQO2 P16083 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
IDO1 P14902 2/20 0.41
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL3056091 0.85 CD38 (0.59)
SCHEMBL17525089 0.84 MEN1 (0.44) KDM4EKMT2AMEN1MAPK1SCN9A
SCHEMBL13744590 0.79 MEN1 (0.51) KDM4EKMT2AMEN1MAPK1SCN9A
SCHEMBL1683198 0.77 KMT2A (0.52) KMT2AMEN1SCN9AALDH1A1HPGD
SCHEMBL14804193 0.77 MEN1 (0.67) KMT2AMEN1SCN9AALDH1A1HPGD
SCHEMBL3051014 0.76 MAPT (0.50) ALDH1A1BDKRB2
SCHEMBL2807768 0.76 KDM4E (0.47) KDM4EKMT2AMEN1MAPK1SCN9A
SCHEMBL13744814 0.75 DRD2 (0.49) KMT2AMEN1SCN9AHPGDSTK17B
SCHEMBL21601440 0.74 AAK1 (0.49) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL22917677 0.74 CA12 (0.51) STK17BSTK17ACA12CA1CA2

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
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 EP disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 WO disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 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-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 KDM4E 1221/4885KMT2A 1738/4885MEN1 1704/4885

“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.