SCHEMBL6803090

SCHEMBL6803090

COC(=O)c1cccc([N+](=O)[O-])c1-c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
NFKB1 P19838 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 5/20 0.46
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
ABCC4 O15439 1/20 0.46
PLIN1 O60240 1/20 0.46
CACNA1F O60840 1/20 0.46
GMNN O75496 1/20 0.46

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
SCHEMBL16719902 0.89 TSHR (0.53) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL14933431 0.87 TSHR (0.56) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL15687597 0.85 LOXL2 (0.47) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6798068 0.84 P2RX1 (0.46) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6800263 0.84 TSHR (0.62) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL29959661 0.81 TSHR (0.70) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL307312 0.81 TSHR (0.70) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8168008 0.79 ALDH1A1 (0.50) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL16093623 0.79 ABCB1 (0.49) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL16120112 0.77 KMT2A (0.43) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 TSHR 1272/4885SMN1; SMN2 1854/4885KMT2A 1496/4885

“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.