SCHEMBL23926180

SCHEMBL23926180

CC(=O)Nc1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HIF1A Q16665 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PKM P14618 2/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
OPRK1 P41145 1/20 0.36
KLF5 Q13887 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL22085181 0.90 LMNA (0.52) LMNARAB9ANPC1MEN1KMT2A
SCHEMBL16655694 0.78 LPL (0.39)
SCHEMBL19965243 0.76 LPL (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15288558 0.75 BRD4 (0.35) LMNARAB9ANPC1MEN1KMT2A
SCHEMBL23705497 0.75 SMN1; SMN2 (0.42) RAB9AKMT2ASMN1; SMN2HIF1AMAPT
SCHEMBL28490184 0.75 RAB9A (0.55) LMNARAB9ANPC1MEN1KMT2A
SCHEMBL30016416 0.75 FABP6 (0.42) MEN1KMT2AALDH1A1
SCHEMBL28483833 0.75 LPL (0.39)
SCHEMBL3132769 0.75 FABP6 (0.42) MEN1KMT2AALDH1A1
SCHEMBL5345714 0.74 LMNA (0.65) LMNARAB9ANPC1MEN1KMT2A

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
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 WO disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 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 (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-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 LMNA 1316/4885RAB9A 4172/4885NPC1 206/4885

“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.