SCHEMBL3392808

SCHEMBL3392808

N/C(=N/O)c1ccc([C]=O)cn1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
FLT3 P36888 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM2 P08172 1/20 0.31
GRM5 P41594 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
PKM P14618 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3392810 1.00 KMT2A (0.32) KMT2AFLT3MAPK1CHRM2GRM5
SCHEMBL5223201 0.82 NOS3 (0.38) KMT2AKDM4EL3MBTL1GAA
SCHEMBL17395190 0.82 NOS3 (0.38) KMT2AKDM4EL3MBTL1GAA
SCHEMBL2760746 0.79 KMT2A (0.50) KMT2ACHRM2GRM5SIGMAR1KDM4E
SCHEMBL28286419 0.78 PRMT1 (0.41) KMT2ACHRM2GRM5SIGMAR1
SCHEMBL14153307 0.77 GRM5 (0.51) FLT3CHRM2GRM5SIGMAR1
SCHEMBL14993380 0.73 ADRA2A (0.47) KMT2AMAPK1RAB9AKDM4EL3MBTL1
SCHEMBL13783338 0.73 KDM1A (0.40) KMT2AMAPK1RAB9ANPC1MITF
SCHEMBL18547170 0.73 P4HTM (0.55) KMT2AMAPK1PKMKDM4EL3MBTL1
SCHEMBL17394925 0.73 KDM1A (0.40) KMT2AMAPK1RAB9ANPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 US claimed

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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP KMT2A 4400/4885FLT3 1963/4885MAPK1 1975/4885

“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.