SCHEMBL21777008

SCHEMBL21777008

Oc1nnc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
POLB P06746 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPC1 O15118 4/20 0.55
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
BACE1 P56817 2/20 0.55
GSK3B P49841 2/20 0.53
NOTUM Q6P988 1/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KIF11 P52732 2/20 0.48
IKBKB O14920 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL18528795 0.86 NPC1 (0.69) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL31595791 0.84 NPC1 (0.51) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL23451665 0.81 KDM4E (0.64) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL2093814 0.80 BCHE (0.55) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL21776988 0.80 RAB9A (0.57) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL22116712 0.79 NPC1 (0.57) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL5754354 0.79 KDM4E (0.71) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL29121393 0.79 NPC1 (0.71) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL23451582 0.79 NPC1 (0.72) KDM4EPOLBHSD17B10NPC1ACHE
SCHEMBL31512896 0.78 KDM4E (0.58) KDM4EALDH1A1CYP1A2POLBCYP2C19

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-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 KDM4E 3907/4885ALDH1A1 1260/4885CYP1A2 2434/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT KDM4E 4149/4885ALDH1A1 658/4885CYP1A2 1415/4885

“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.