SCHEMBL23623256

SCHEMBL23623256

O=C(NCc1n[nH]c(-c2cc(F)ccc2O)n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
HSD17B13 Q7Z5P4 2/20 0.38
KCNK3 O14649 4/20 0.38
KCNK9 Q9NPC2 4/20 0.38
RXFP1 Q9HBX9 1/20 0.37
F2R P25116 1/20 0.37
HCN1 O60741 1/20 0.36
CLK1 P49759 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
BRAF P15056 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL23611716 0.89 KCNK3 (0.45) KCNK3KCNK9F2RCLK1LMNA
SCHEMBL29930594 0.89 KCNK3 (0.45) KCNK3KCNK9F2RCLK1LMNA
SCHEMBL23623626 0.87 SMN1; SMN2 (0.40) LMNAMAPTL3MBTL1AKR1B1TP53
SCHEMBL23623280 0.83 ALOX15 (0.47) OPRM1KCNK3KCNK9CLK1MAPT
SCHEMBL31461708 0.83 OPRM1 (0.41) OPRM1KCNK3KCNK9RXFP1F2R
SCHEMBL23623264 0.83 ALOX15 (0.44) KCNK3KCNK9LMNAMAPTADORA2A
SCHEMBL23623259 0.83 TP53 (0.40) KCNK3KCNK9LMNAMAPTADORA2A
SCHEMBL23623347 0.83 MEN1 (0.40) OPRM1HSD17B13KCNK3KCNK9RXFP1
SCHEMBL23623443 0.82 HPGD (0.45) OPRM1KCNK3KCNK9F2RHCN1
SCHEMBL31461685 0.80 SMN1; SMN2 (0.41) OPRM1KCNK3KCNK9HCN1LMNA

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 1751/4885HSD17B13 840/4885KCNK3 2414/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 OPRM1 1751/4885HSD17B13 840/4885KCNK3 2414/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 OPRM1 1751/4885HSD17B13 840/4885KCNK3 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.