SCHEMBL23926530

SCHEMBL23926530

CC1(C)OB(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.54
ALDH1A1 P00352 9/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP2C9 P11712 2/20 0.51
LMNA P02545 4/20 0.50
HPGD P15428 1/20 0.50
CTSB P07858 1/20 0.48
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL32933328 1.00 MAPT (0.54) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL23926498 0.90 MAPT (0.55) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL32933259 0.90 MAPT (0.55) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL21378295 0.89 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL23850805 0.79 GAA (0.63) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL29266604 0.78 LPL (0.42) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL28664498 0.78 SMN1; SMN2 (0.50) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL31063927 0.78 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL21385308 0.78 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL790296 0.77 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024083111-A1 NOVEL HETEROCYCLIC COMPOUNDS 首药控股(北京)股份有限公司 2024-04-25 WO disclosed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 US disclosed
CN-113727972-A Novel hydrazone derivatives in which terminal amino group is substituted with aryl or heteroaryl group, and use thereof 韩国科学技术研究院 2021-11-30 CN disclosed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 EP 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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT MAPT 3061/4885ALDH1A1 402/4885SMN1; SMN2 4864/4885

“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.