SCHEMBL23611722

SCHEMBL23611722

COc1c(OCc2ccccc2)cccc1C(=O)NN

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 1/20 0.68
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CTSD P07339 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
SGMS2 Q8NHU3 3/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.50
PTGER1 P34995 1/20 0.49
SLC6A12 P48065 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL29930700 1.00 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL29930885 0.86 NPC1 (0.60) NPC1RAB9AALDH1A1KDM4ESGMS2
SCHEMBL23611725 0.86 NPC1 (0.60) NPC1RAB9AALDH1A1KDM4ESGMS2
SCHEMBL23536856 0.86 PTGER1 (0.60) NPC1RAB9AMAPTL3MBTL1ATM
SCHEMBL6748166 0.84 SGMS2 (0.72) NPC1RAB9AMAPTALDH1A1CTSD
SCHEMBL23611714 0.83 SGMS2 (0.58) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL29930939 0.83 SGMS2 (0.58) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4349487 0.82 CTSD (0.72) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL28862953 0.82 NPC1 (0.56) NPC1RAB9AMAPTL3MBTL1ATM
SCHEMBL28731423 0.81 HDAC6 (0.57) NPC1RAB9AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 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 (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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 NPC1 1821/4885RAB9A 1812/4885MAPT 1520/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NPC1 1821/4885RAB9A 1812/4885MAPT 1520/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NPC1 1821/4885RAB9A 1812/4885MAPT 1520/4885

“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.