SCHEMBL23978208

SCHEMBL23978208

O=C(O)c1ccc(CN2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.53
CASP6 P55212 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALOX5 P09917 2/20 0.48
PTGES2 Q9H7Z7 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNJ1 P48048 1/20 0.46

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
Hydrochloric Acid SCHEMBL28030086 0.99 CTSB (0.52) CTSBCASP6ALDH1A1MAPTSMN1; SMN2
SCHEMBL7773858 0.88 CASP6 (0.54) CASP6ALDH1A1SMN1; SMN2ALOX5PTGES2
Hydrochloric Acid SCHEMBL28822009 0.87 CASP6 (0.53) CASP6ALDH1A1SMN1; SMN2ALOX5PTGES2
SCHEMBL28105867 0.87 ALDH1A1 (0.55) CASP6ALDH1A1MAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL28029756 0.86 ALDH1A1 (0.53) CASP6ALDH1A1MAPTSMN1; SMN2ALOX5
SCHEMBL28105869 0.85 TSHR (0.50) CASP6ALDH1A1SMN1; SMN2ALOX5PTGES2
Hydrochloric Acid SCHEMBL28029755 0.84 TSHR (0.49) CASP6ALDH1A1SMN1; SMN2KDM4EALOX5
Hydrochloric Acid SCHEMBL4267586 0.84 TSHR (0.49) CASP6ALDH1A1SMN1; SMN2KDM4EALOX5
SCHEMBL19175109 0.80 SMN1; SMN2 (0.54) CTSBALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL1613713 0.80 CTSB (0.53) CTSBALDH1A1MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed
CN-104817519-B The derivant of one class CA-4, its preparation method and medical usage thereof 中国药科大学 2016-11-16 CN 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 (1 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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 CTSB 526/4885CASP6 36/4885ALDH1A1 3922/4885

“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.