SCHEMBL25822658

SCHEMBL25822658

O=C(ON1CCN(c2ccc(Br)cc2F)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 5/20 0.46
ALOX15 P16050 3/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
GRM5 P41594 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MPI P34949 1/20 0.42

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
SCHEMBL25819265 0.78 GAA (0.57) ALDH1A1HPGDTSHRALOX15MAPK1
SCHEMBL19212228 0.76 ALDH1A1 (0.58) ALDH1A1HPGDTSHRALOX15MAPK1
SCHEMBL19212037 0.72 MAPT (0.56) ALDH1A1HPGDTSHRALOX15MAPK1
SCHEMBL354587 0.72 ALDH1A1 (0.54) ALDH1A1HPGDTSHRALOX15MAPK1
SCHEMBL31485198 0.72 ALDH1A1 (0.64) ALDH1A1HPGDTSHRNPC1SMN1; SMN2
SCHEMBL27485478 0.70 ALDH1A1 (0.58) ALDH1A1HPGDMAPK1NPC1MAPT
SCHEMBL27457055 0.70 KDM4E (0.58) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL2510973 0.70 KMT2A (0.50) ALDH1A1HPGDTSHRALOX15NPC1
SCHEMBL25715170 0.70 ALDH1A1 (0.56) ALDH1A1HPGDTSHRMAPK1NPC1
SCHEMBL19212045 0.69 TRPC5 (0.52) ALDH1A1HPGDTSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 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 (2 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ALDH1A1 4008/4885HPGD 3219/4885TSHR 3971/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 ALDH1A1 2752/4885HPGD 2409/4885TSHR 3869/4885

“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.