SCHEMBL21559633

SCHEMBL21559633

CC(C)n1nc(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
KMT2A Q03164 6/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAPT P10636 6/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 6/20 0.43
NPY1R P25929 1/20 0.43
RECQL P46063 1/20 0.43
NPY2R P49146 1/20 0.43
HPGD P15428 1/20 0.43
JMJD6 Q6NYC1 1/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 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
SCHEMBL23484089 0.81 JMJD6 (0.39) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL20725277 0.75 MAPT (0.43) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL23505923 0.75 KMT2A (0.55) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL21743140 0.74 MAPT (0.49) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL20154228 0.73 MAPT (0.57) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL22343223 0.73 MAPT (0.48) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL21559634 0.73 JMJD6 (0.46) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL26179355 0.72 KMT2A (0.55) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL20651058 0.71 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL20651056 0.71 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067629-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2024-02-29 US disclosed
US-11753399-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2023-09-12 US disclosed
US-11267801-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2022-03-08 US disclosed
US-20210171498-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-06-10 US disclosed
US-10836746-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
US-20190345136-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 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 (6 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-11267801-B2 Therapeutic compounds NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-20240067629-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-20210171498-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-10836746-B2 Therapeutic compounds NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-20190345136-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-11753399-B2 Therapeutic compounds NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885

“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.