SCHEMBL6097776

SCHEMBL6097776

COC(=O)c1cc2ccccc2nc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.55
KDM4E B2RXH2 7/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
IKBKB O14920 1/20 0.45
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL30201832 0.82 SMN1; SMN2 (0.60) KDM4ERAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16234345 0.82 KDM4E (0.51) ABCG2KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL68891 0.82 KDM4E (0.51) ABCG2KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL28049817 0.81 TDP1 (0.55) KDM4ETDP1RAB9AMAPTSMN1; SMN2
SCHEMBL24951256 0.81 KDM4E (0.48) ABCG2KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL30819462 0.81 KDM4E (0.48) ABCG2KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL5255504 0.81 IKBKB (0.66) ABCG2KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL31105839 0.81 KDM4E (0.57) ABCG2KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL20098513 0.81 KDM4E (0.57) ABCG2KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL6603045 0.81 KDM4E (0.51) ABCG2KDM4ERAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041664-B2 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION (US) 2006-05-09 US disclosed
US-6894044-B2 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION (US) 2005-05-17 US disclosed
US-20040229907-A1 2-Aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-11-18 US disclosed
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION 2002-10-24 US disclosed
US-6369053-B1 CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES; ALSO USEFUL AS PROBES FOR THE LOCALIZATION OF CELL SURFACE RECEPTORS; NONPEPTIDE NK-3 RECEPTOR ANTAGONISTS NEUROGEN CORPORATION 2002-04-09 US disclosed
WO-2000064877-A1 2-AMINOQUINOLINECARBOXAMIDES: NEUROKININ RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-11-02 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 (2 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-20040229907-A1 2-Aminoquinolinecarboxamides: neurokinin receptor ligands OPRL1, OPRK1, KCNQ3 ABCG2 476/4885KDM4E 3541/4885TDP1 2627/4885
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands KCNQ3, OPRK1, KCNQ1 ABCG2 570/4885KDM4E 2712/4885TDP1 2704/4885

“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.