SCHEMBL2437157

SCHEMBL2437157

CCC(C(N)=O)c1ccc(C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
P2RX7 Q99572 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
KCNH2 Q12809 2/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2434546 0.81 EPHX1 (0.33) P2RX7HDAC1HDAC6MMP9MMP8
SCHEMBL4531123 0.80 EPHX1 (0.62) P2RX7KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL26898446 0.77 ALDH1A1 (0.50) MMP9MMP8MMP13KMT2ASMN1; SMN2
SCHEMBL29931638 0.77 SMN1; SMN2 (0.49) KMT2AKDM4ESMN1; SMN2GAATHRB
SCHEMBL2436131 0.77 SMN1; SMN2 (0.49) KMT2AKDM4ESMN1; SMN2GAATHRB
SCHEMBL1850641 0.75 POLB (0.34) KCNH2ATMATRMAPTKDM4E
SCHEMBL12836123 0.73 P2RX7 (0.40) ADRA2AADRA2BADRA2CP2RX7HDAC1
SCHEMBL2760652 0.73 L3MBTL1 (0.44) ADRA2AADRA2BADRA2CP2RX7HDAC1
SCHEMBL2674305 0.73 SLC6A4 (0.46) ADRA2AADRA2BADRA2CP2RX7KMT2A
SCHEMBL12352043 0.73 LMNA (0.47) ADRA2AADRA2BADRA2CP2RX7HDAC1

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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA ADRA2A 2053/4885ADRA2B 1814/4885ADRA2C 1690/4885

“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.