SCHEMBL24865697

SCHEMBL24865697

CC1CN(c2ccc(Nc3ccc4oc(=O)[nH]c4c3)cc2)CC(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
JAK1 P23458 7/20 0.42
JAK3 P52333 7/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
JAK2 O60674 2/20 0.40
CYP3A4 P08684 1/20 0.40
SYK P43405 1/20 0.40
P2RX3 P56373 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL24865724 0.77 MAPT (0.45) MAPTJAK1JAK3SYKALDH1A1
SCHEMBL31123276 0.76 JAK1 (0.41) JAK1JAK3NOS3NOS1NOS2
SCHEMBL24865673 0.76 JAK1 (0.41) JAK1JAK3NOS3NOS1NOS2
SCHEMBL30336377 0.76 MAPT (0.44) MAPTSYKALDH1A1KMT2A
SCHEMBL24864843 0.76 MAPT (0.44) MAPTSYKALDH1A1KMT2A
SCHEMBL24865109 0.74 KDM4E (0.46) MAPTJAK3ALDH1A1LMNATSHR
SCHEMBL30885138 0.72 MAPT (0.60) MAPTSYKALDH1A1LMNATSHR
SCHEMBL24865712 0.72 MAPT (0.48) MAPTALDH1A1LMNA
SCHEMBL24864842 0.72 MAPT (0.50) MAPTSYK
SCHEMBL1414077 0.72 ALDH1A1 (0.43) MAPTALDH1A1KMT2A

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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 MAPT 3110/4885JAK1 3230/4885JAK3 3696/4885

“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.