SCHEMBL2988877

SCHEMBL2988877

CC(C(N)=O)n1nnc2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
GPR139 Q6DWJ6 7/20 0.59
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.47
USP5 P45974 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL11881871 0.87 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2CYP1A2CYP2C19GPR139
SCHEMBL25837699 0.87 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2CYP1A2CYP2C19GPR139
SCHEMBL13831514 0.81 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2CYP1A2CYP2C19GPR139
SCHEMBL2069140 0.80 HSD17B10 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL874198 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP2C19GPR139
SCHEMBL10919575 0.75 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2CYP1A2CYP2C19GPR139
SCHEMBL1562499 0.72 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C19GPR139
SCHEMBL24233086 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2C19GPR139
SCHEMBL2996057 0.70 MEN1 (0.63) ALDH1A1SMN1; SMN2GPR139NPC1RAB9A
SCHEMBL18493192 0.70 HPSE (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C19NPC1

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 ALDH1A1 2072/4885SMN1; SMN2 509/4885CYP1A2 3195/4885

“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.