SCHEMBL3594231

SCHEMBL3594231

CC1(C)Cc2cc(N)ccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.41
CYP19A1 P11511 3/20 0.40
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR6 P50406 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
APEX1 P27695 1/20 0.35
LMNA P02545 1/20 0.35
BRD4 O60885 2/20 0.35
HTR5A P47898 1/20 0.35
APAF1 O14727 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATAD2 Q6PL18 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL1709821 0.86 CA9 (0.53) CA9CYP19A1GAAKDM4EKMT2A
SCHEMBL14828445 0.82 CYP3A4 (0.46) CA9GAAKDM4EKMT2AMEN1
SCHEMBL23674934 0.81 TSHR (0.46) CA9CYP19A1GAAKDM4EKMT2A
SCHEMBL7422703 0.81 BRD4 (0.54) CA9GAAKDM4EKMT2AMAPT
SCHEMBL3594228 0.79 BRD4 (0.35) BRD4
SCHEMBL17026793 0.79 AHR (0.54) GAAKMT2AMAPTMEN1HTR6
SCHEMBL26088993 0.79 OTUD7B (0.41) CA9GAAKDM4EKMT2AMAPT
SCHEMBL17027073 0.77 KIF11 (0.43) KMT2AMEN1HSD17B10TDP1BRD4
SCHEMBL6491515 0.77 ALDH1A1 (0.34) GAAKDM4EMAPTHSD17B10BRD4
SCHEMBL14827506 0.77 HPGD (0.50) KMT2AMAPTMEN1HSD17B10TDP1

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
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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 (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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CA9 1531/4885CYP19A1 314/4885GAA 4641/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CA9 231/4885CYP19A1 824/4885GAA 940/4885

“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.