SCHEMBL22628907

SCHEMBL22628907

Cc1noc(-c2ccc3c(c2)OC(F)(F)O3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.49
▸ ACHE P22303 2/20 0.49
▸ PDK2 Q15119 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ BCHE P06276 1/20 0.41
▸ UTRN P46939 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 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
SCHEMBL16482021 0.76 L3MBTL1 (0.54) NOTUMTP53LMNAKIF11GAA
SCHEMBL22630196 0.75 GAA (0.64) ACHEMAPTTP53LMNAGAA
SCHEMBL1422764 0.74 CHRNB2 (0.63) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL13415305 0.74 ACHE (0.80) ACHEPDK2MAPTTP53LMNA
SCHEMBL2092192 0.72 NPC1 (0.63) NOTUMACHEPDK2MAPTTP53
SCHEMBL60656 0.72 NPC1 (0.61) NOTUMMAPTTP53ADORA3GAA
SCHEMBL12586444 0.71 ACHE (0.54) ACHEPDK2MAPTTP53LMNA
SCHEMBL12112410 0.71 ACHE (0.54) ACHEPDK2MAPTTP53LMNA
SCHEMBL13415304 0.71 TP53 (0.64) ACHEPDK2MAPTTP53LMNA
SCHEMBL18003942 0.71 NOTUM (0.50) NOTUMUTRNKIF11ADORA3ADORA2A

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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 — — 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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A NOTUM 1470/4885ACHE 2683/4885PDK2 648/4885

“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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