SCHEMBL18819112

SCHEMBL18819112

Nc1c(C(=O)Nc2ccc([N+](=O)O)cc2)sc2nc3c(c(-c4ccco4)c12)CCC3

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.81
MEN1 O00255 6/20 0.81
LMNA P02545 4/20 0.81
ALDH1A1 P00352 8/20 0.80
NPSR1 Q6W5P4 5/20 0.80
MAPT P10636 6/20 0.78
HTT P42858 3/20 0.70
HSD17B10 Q99714 3/20 0.67
USP2 O75604 1/20 0.67
PTK2B Q14289 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
EEF2K O00418 6/20 0.64
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
BRCA1 P38398 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL427662 0.93 MEN1 (0.80) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL426340 0.91 MEN1 (0.80) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL18537648 0.90 ALDH1A1 (0.88) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL13186408 0.90 KMT2A (0.86) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL14969396 0.89 ALDH1A1 (1.00) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL13186407 0.88 ALDH1A1 (0.86) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL14969506 0.87 ALDH1A1 (0.97) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL13392956 0.86 ALDH1A1 (0.84) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL15788371 0.86 ALDH1A1 (0.81) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL14955153 0.81 MAPT (0.84) KMT2AMEN1LMNAALDH1A1NPSR1

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-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 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-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 KMT2A 2603/4885MEN1 3532/4885LMNA 4422/4885

“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.