SCHEMBL23716809

SCHEMBL23716809

Cc1cc(=O)[nH]c(C2CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
PDE2A O00408 6/20 0.44
KDM4E B2RXH2 1/20 0.43
YTHDF3 Q7Z739 1/20 0.41
YTHDF1 Q9BYJ9 1/20 0.41
YTHDF2 Q9Y5A9 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC11A2 P49281 1/20 0.41
MAPK1 P28482 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41

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
Formic Acid Methyl Ester SCHEMBL29809733 0.83 PARP1 (0.41) DDB1CRBNGAASMN1; SMN2HTT
Formic Acid Methyl Ester SCHEMBL28826693 0.83 PARP1 (0.41) DDB1CRBNGAASMN1; SMN2HTT
SCHEMBL29809619 0.78 DDB1 (0.38) DDB1CRBNGAASMN1; SMN2ALDH1A1
SCHEMBL29809817 0.77 PDE2A (0.39) DDB1CRBNGAASMN1; SMN2ALDH1A1
SCHEMBL3988562 0.73 SMN1; SMN2 (0.54) SMN1; SMN2HTTPDE2AYTHDF3YTHDF1
SCHEMBL1535571 0.73 PDE2A (0.53) PDE2A
SCHEMBL16867827 0.72 PDE2A (0.52) PDE2A
SCHEMBL15660792 0.70 JAK2 (0.44) NPC1PDE2ALMNACYP1A2TMIGD3
SCHEMBL5935763 0.70
SCHEMBL29107895 0.70 KDM4E (0.38) DDB1CRBNGAASMN1; SMN2HTT

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-20230128972-A1 Anat Inhibitors and Methods of Use Thereof Atomwise Inc. 2023-04-27 US disclosed
WO-2021155253-A1 ANAT INHIBITORS AND METHODS OF USE THEREOF Atomwise Inc. (US) 2021-08-05 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 (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-20230128972-A1 Anat Inhibitors and Methods of Use Thereof AANAT, CHAT, NAT1 DDB1 3513/4885CRBN 2335/4885GAA 33/4885

“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.