SCHEMBL13790975

SCHEMBL13790975

Nc1ccc(NCCCn2ccnc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
APP P05067 1/20 0.64
POLB P06746 1/20 0.64
HSP90AA1 P07900 1/20 0.64
HSP90AB1 P08238 1/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
SNCA P37840 1/20 0.64
BRCA1 P38398 1/20 0.64
RECQL P46063 1/20 0.64
MAPK10 P53779 1/20 0.64
BLM P54132 1/20 0.64
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 1/20 0.64
KMT2A Q03164 1/20 0.64

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
SCHEMBL20334220 0.88 MAPK10 (0.66) MEN1USP2LMNATP53APP
SCHEMBL13043686 0.86 ADORA2A (0.49) MEN1USP2LMNATP53APP
SCHEMBL13043683 0.81 MAPK1 (0.53) MEN1USP2LMNATP53APP
SCHEMBL7970502 0.79 QPCT (0.63) QPCTSOD1
Hydrochloric Acid SCHEMBL3872082 0.78 QPCT (0.62) QPCTSOD1
SCHEMBL10013660 0.76 SMN1; SMN2 (0.48) LMNAPOLBMAPTTSHRSMN1; SMN2
SCHEMBL10013656 0.76 SMN1; SMN2 (0.48) LMNAPOLBMAPTTSHRSMN1; SMN2
SCHEMBL11645881 0.76 ADORA2A (0.54) MEN1USP2LMNATP53POLB
SCHEMBL11423638 0.74 ADORA2A (0.53) MEN1USP2LMNAPOLBMAPT
SCHEMBL8647027 0.73 ADORA2A (0.51) MEN1LMNAPOLBMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550016-B2 Sulfide dyes CIBA SPECIALTY CHEMICALS CORP. (US) 2009-06-23 US disclosed
US-20090049620-A1 Sulfide dyes CIBA SPECIALTY CHEMICAL CORP. 2009-02-26 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-20090049620-A1 Sulfide dyes KRT18, C9, CBR3 MEN1 3070/4885USP2 2483/4885LMNA 240/4885

“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.