SCHEMBL2993534

SCHEMBL2993534

[CH2]c1nc2ccccc2c(=O)n1CC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL2993540 0.82 TSHR (0.62) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1612786 0.71 KMT2A (0.69) TSHRALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL3118173 0.70 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2NPSR1POLBRAB9A
SCHEMBL2996057 0.70 MEN1 (0.63) ALDH1A1SMN1; SMN2POLBRAB9AMEN1
SCHEMBL31161040 0.69 MAPT (0.47) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL22873289 0.68 PARP1 (0.44) KDM4EMEN1KMT2AHDAC6LMNA
SCHEMBL2993293 0.68 KDM4E (0.55) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL3322075 0.67 KDM4E (0.68) CYP1A2CYP2C19POLBKDM4EHDAC6
SCHEMBL1520877 0.66 KDM4E (0.49) CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL14397087 0.66 KDM4E (0.78) TSHRALDH1A1KDM4ELMNA

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 4208/4885CYP1A2 3195/4885CYP2C9 2207/4885

“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.