Sugi Predict

Sugi Predict / Compounds / SCHEMBL17820600

SCHEMBL17820600

SCHEMBL17820600

O=[N+]([O-])c1cccc2c1Sc1cccc(Cl)c1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.39
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TDP1 Q9NUW8 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GPR35 Q9HC97 1/20 0.34
▸ P2RY6 Q15077 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL17820669 0.75 AHR (0.46) AHRHPGDMAPTALDH1A1MEN1
SCHEMBL18056677 0.73 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL11298003 0.72 AHR (0.40) AHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL17820338 0.70 AHR (0.37) AHRHPGDMAPTALDH1A1MEN1
SCHEMBL23918067 0.69 AHR (0.41) AHR
Ethane SCHEMBL28101016 0.67 TDP1 (0.52) MAPTMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL9698123 0.66 HSD17B10 (0.43) MAPK1L3MBTL1TDP1ALDH1A1MEN1
SCHEMBL15009561 0.65 AHR (0.47) AHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL22180390 0.65 AHR (0.47) AHRHPGDMAPTMAPK1ALDH1A1
SCHEMBL58157 0.64 TDP1 (0.65) HPGDMAPTMAPK1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 — — EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 — — EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 AHR 1696/4885HPGD 4624/4885MAPT 3669/4885

“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.