SCHEMBL22680751

SCHEMBL22680751

Cc1nc2c(C(=O)NCC[C@H](C)O)cnn2c(O)c1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 6/20 0.58
LMNA P02545 11/20 0.58
TP53 P04637 9/20 0.58
MAPT P10636 5/20 0.58
HPGD P15428 5/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALOX12 P18054 1/20 0.45

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
SCHEMBL22680753 0.86 LMNA (0.58) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL902276 0.85 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL902805 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL902218 0.83 LMNA (0.71) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL15262396 0.82 HSD17B10 (0.66) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL12156081 0.81 TP53 (0.64) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL902627 0.80 LMNA (0.63) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL902473 0.79 HSD17B10 (0.57) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL902171 0.79 LMNA (0.66) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL15572020 0.78 LMNA (0.76) ALDH1A1KDM4ELMNATP53MAPT

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-20200360381-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 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-20200360381-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS F3, CD4, F12 ALDH1A1 3098/4885KDM4E 3315/4885LMNA 2345/4885

“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.