SCHEMBL2092871

SCHEMBL2092871

Cc1ccsc1CNC1CC[N]C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAOA P21397 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
BRD4 O60885 1/20 0.34
KAT2B Q92831 1/20 0.34
ADRA1D P25100 2/20 0.33
METAP2 P50579 1/20 0.33
PNP P00491 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
GRIN2B Q13224 1/20 0.31
ALOX5 P09917 1/20 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
SCHEMBL2094368 0.73 KDM1A (0.46) ALDH1A1MEN1KMT2APOLB
SCHEMBL2092709 0.72 PRMT6 (0.46) ALDH1A1MAOAKDM4CADRA1DMEN1
SCHEMBL2094309 0.70 MCHR1 (0.44)
SCHEMBL2092320 0.68 GRIN2B (0.54) MEN1KMT2AGRIN2B
SCHEMBL4573616 0.68
SCHEMBL22838128 0.66
SCHEMBL4573620 0.66
SCHEMBL2096691 0.66 GRIN2B (0.42) MEN1KMT2APOLBGRIN2B
SCHEMBL2091680 0.66 ACHE (0.48) MEN1KMT2APOLB
SCHEMBL2092195 0.66 HRH3 (0.42) ALDH1A1KDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 ALDH1A1 292/4885MAOA 684/4885KDM4E 4269/4885

“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.