SCHEMBL2890042

SCHEMBL2890042

O=[N+]([O-])c1ccc(OC(=S)Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.57
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ MAPT P10636 6/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ ALOX12 P18054 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ HPGD P15428 2/20 0.53
▸ FFAR1 O14842 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MYOC Q99972 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
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL1006629 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL5078630 0.79 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL2468372 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAGAAHTT
SCHEMBL11410688 0.78 MEN1 (0.58) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL6261538 0.77 MAPT (0.62) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL3317227 0.77 GAA (0.56) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL10979651 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL11832409 0.76 MEN1 (0.88) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL25490115 0.75 MEN1 (0.56) ALDH1A1SMN1; SMN2MAPTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 — — EP 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 ALDH1A1 1480/4885SMN1; SMN2 2822/4885MAPT 2046/4885

“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.

Send feedback