SCHEMBL21027971

SCHEMBL21027971

O=C(OCc1ccccc1)c1cccc2c1Nc1ccccc1C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
CREBBP Q92793 1/20 0.56
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 5/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
MMP1 P03956 1/20 0.43
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL21027973 0.85 ALDH1A1 (0.51) BRD4CREBBPALDH1A1TDP1L3MBTL1
SCHEMBL16260461 0.80 ALOX5 (0.58) ALDH1A1TSHRKMT2APOLBLMNA
SCHEMBL14444038 0.79 ALOX5 (0.54) BRD4CREBBPALDH1A1MAPK1KMT2A
SCHEMBL28085954 0.77 AHR (0.47) BRD4CREBBPALDH1A1MAPK1KMT2A
SCHEMBL21027974 0.77 TDP1 (0.51) ALDH1A1TDP1L3MBTL1SLC6A2SLC6A3
SCHEMBL14444036 0.75 AHR (0.44) ALDH1A1TSHRMAPK1KMT2ARAB9A
SCHEMBL27986175 0.75 ALDH1A1 (0.55) BRD4CREBBPALDH1A1TDP1L3MBTL1
SCHEMBL17680903 0.74 CREBBP (0.64) BRD4CREBBPALDH1A1TDP1L3MBTL1
SCHEMBL50441 0.73 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL29388715 0.73 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE Stingthera, Inc. 2021-01-07 US disclosed
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use SILICON SWAT, INC. (US) 2020-08-18 US disclosed
US-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. 2019-05-30 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 (3 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-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS BRD4 3152/4885CREBBP 152/4885ALDH1A1 1078/4885
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS BRD4 3152/4885CREBBP 152/4885ALDH1A1 1078/4885
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use STING1, IRF3, CGAS BRD4 3152/4885CREBBP 152/4885ALDH1A1 1078/4885

“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.