SCHEMBL6097775

SCHEMBL6097775

COC(=O)C1(Br)C=Cc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 3/20 0.36
P2RX4 Q99571 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
IDO1 P14902 1/20 0.32
HTT P42858 2/20 0.32
JAK2 O60674 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
ALOX5 P09917 2/20 0.31

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
SCHEMBL984966 0.68 MAPT (0.41) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL28059865 0.67 MAPT (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL31448339 0.67 MAPT (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1285713 0.66 MAPT (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6991005 0.66 BRD4 (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL30250427 0.66 BRD4 (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29896250 0.66 MAPT (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4796337 0.66 MAPT (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4587067 0.66 GAA (0.42) KDM4EHPGDMAPTGAAHTT
SCHEMBL31305217 0.66 MAPT (0.35) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 ALDH1A1 2033/4885KDM4E 3541/4885HPGD 2900/4885
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands KCNQ3, OPRK1, KCNQ1 ALDH1A1 2180/4885KDM4E 2712/4885HPGD 3113/4885

“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.