SCHEMBL6833501

SCHEMBL6833501

O=C(Nc1cccnc1)c1c[nH]c2c1-c1nn(CCO)cc1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.45
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CYP11B2 P19099 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP11B1 P15538 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CSF1R P07333 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL6834167 0.90 NAMPT (0.55) NAMPTALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL6834084 0.90 NAMPT (0.44) NAMPTALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL6831069 0.87 NAMPT (0.53) NAMPTALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL6309958 0.81 ALDH1A1 (0.42) NAMPTALDH1A1TSHRMEN1KMT2A
SCHEMBL6303008 0.80 ALDH1A1 (0.44) NAMPTALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL7386449 0.77 ALDH1A1 (0.48) NAMPTALDH1A1TSHRMEN1KMT2A
SCHEMBL6304512 0.76 ALDH1A1 (0.43) NAMPTALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL8038852 0.75 ALDH1A1 (0.48) NAMPTALDH1A1TSHRMEN1KMT2A
SCHEMBL7223214 0.74 NPSR1 (0.34) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL6309576 0.74 MAPT (0.38) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NAMPT 2347/4885ALDH1A1 1197/4885SMN1; SMN2 3794/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NAMPT 2347/4885ALDH1A1 1197/4885SMN1; SMN2 3794/4885

“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.