SCHEMBL23623650

SCHEMBL23623650

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPK1 P28482 3/20 0.39
RORC P51449 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 3/20 0.38
ALOX15 P16050 2/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL23623812 0.89 HPGD (0.46) SMN1; SMN2NPC1MEN1KMT2AMAPK1
SCHEMBL31461719 0.89 HDAC3 (0.47) SMN1; SMN2NPC1RAB9ATDP1HDAC3
SCHEMBL23623344 0.85 OPRM1 (0.42) NPC1MEN1KMT2ARORC
SCHEMBL31461660 0.85 HPGD (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23623561 0.83 TP53 (0.46) SMN1; SMN2MAPK1ALDH1A1HTTPOLB
SCHEMBL23623348 0.83 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23623286 0.82 KMT2A (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL24177602 0.82 POLB (0.47) SMN1; SMN2MAPK1ALDH1A1POLBLMNA
SCHEMBL23623252 0.82 TSHR (0.43) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL23623546 0.81 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 2366/4885NPC1 1821/4885RAB9A 1812/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 SMN1; SMN2 2366/4885NPC1 1821/4885RAB9A 1812/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 SMN1; SMN2 2366/4885NPC1 1821/4885RAB9A 1812/4885

“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.