SCHEMBL16198943

SCHEMBL16198943

CCCCC(N=[N+]=[N-])c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 6/20 0.42
▸ GRM4 Q14833 6/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ACP3 P15309 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ GRM6 O15303 3/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 2/20 0.38

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
SCHEMBL17927290 0.83 ACP3 (0.48) GRM8GRM4SMN1; SMN2MAPTACP3
SCHEMBL13966126 0.78 ACP3 (0.48) SMN1; SMN2MAPTACP3HPGDL3MBTL1
SCHEMBL19339253 0.78 L3MBTL1 (0.60) GRM8GRM4SMN1; SMN2MAPTACP3
SCHEMBL28490652 0.77 L3MBTL1 (0.46) GRM8GRM4SMN1; SMN2MAPTACP3
SCHEMBL8208668 0.77 L3MBTL1 (0.46) GRM8GRM4SMN1; SMN2MAPTACP3
SCHEMBL15994918 0.76 L3MBTL1 (0.43) MAPTL3MBTL1LMNAALDH1A1
SCHEMBL13529880 0.76 MEN1 (0.36) SMN1; SMN2MAPTACP3HPGDL3MBTL1
SCHEMBL27797027 0.74 NPSR1 (0.43) GRM8GRM4SMN1; SMN2MAPTACP3
SCHEMBL7732416 0.73 NPSR1 (0.47) GRM8GRM4SMN1; SMN2ACP3HPGD
SCHEMBL11786819 0.73 KMT2A (0.45) GRM8GRM4SMN1; SMN2MAPTACP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — 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 (2 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP GRM8 3291/4885GRM4 2841/4885SMN1; SMN2 2517/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP GRM8 3291/4885GRM4 2841/4885SMN1; SMN2 2517/4885

“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.

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