SCHEMBL2993540

SCHEMBL2993540

Cc1nc2ccccc2c(=O)n1CC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GFER P55789 1/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
AKR1B10 O60218 1/20 0.52
HDAC1 Q13547 1/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL2993534 0.82 TSHR (0.46) TSHRMEN1KMT2AKDM4ECYP1A2
SCHEMBL5252741 0.80 LMNA (0.60) TSHRNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8347824 0.80 MEN1 (0.68) TSHRMEN1KMT2AGFERKDM4E
SCHEMBL31037456 0.79 MEN1 (0.71) TSHRMEN1KMT2AGFERKDM4E
SCHEMBL3828558 0.79 TSHR (0.83) TSHRMEN1KMT2AGFERKDM4E
SCHEMBL9810820 0.78 MEN1 (0.66) TSHRMEN1KMT2AGFERKDM4E
SCHEMBL12963486 0.77 MEN1 (0.73) TSHRMEN1KMT2AGFERKDM4E
SCHEMBL14184518 0.77 TSHR (1.00) TSHRMEN1KMT2AGFERKDM4E
SCHEMBL1544971 0.76 MEN1 (0.71) TSHRMEN1KMT2AGFERKDM4E
SCHEMBL12933330 0.76 MEN1 (0.62) TSHRMEN1KMT2AGFERKDM4E

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-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection SIGA TECHNOLOGIES, INC. 2010-07-29 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-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection EIF2AK2, HAVCR2, SNRPE TSHR 4208/4885MEN1 3401/4885KMT2A 3347/4885

“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.