SCHEMBL23623344

SCHEMBL23623344

O=C(NCc1cc(-c2ccccc2O)[nH]n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
HCN1 O60741 1/20 0.41
KCNK3 O14649 3/20 0.41
KCNK9 Q9NPC2 3/20 0.41
RORC P51449 4/20 0.41
HSD17B13 Q7Z5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
F2R P25116 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM5A P29375 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL23623292 0.93 KCNK3 (0.41) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23611710 0.91 RXFP1 (0.40) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23623347 0.91 MEN1 (0.40) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL26601319 0.89 OPRM1 (0.41) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23623811 0.89 KCNK3 (0.50) HCN1KCNK3KCNK9F2RMEN1
SCHEMBL23623349 0.88 HSD17B13 (0.41) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL26601342 0.87 AKR1B1 (0.46) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL31461705 0.87 RXFP1 (0.42) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23623810 0.86 HCN1 (0.41) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23623491 0.85 OPRM1 (0.42) OPRM1HCN1KCNK3KCNK9HSD17B13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 WO 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-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

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 OPRM1 1751/4885HCN1 4832/4885KCNK3 2414/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 OPRM1 1751/4885HCN1 4832/4885KCNK3 2414/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 OPRM1 1751/4885HCN1 4832/4885KCNK3 2414/4885

“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.