SCHEMBL23728176

SCHEMBL23728176

CC1(c2ccc([N+](=O)[O-])cc2)CCSCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.40
HTR1E P28566 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 1/20 0.40
APP P05067 1/20 0.39
MAPK1 P28482 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
LMNA P02545 1/20 0.38
CES1 P23141 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL9812380 0.87 HSD17B10 (0.52) ALDH1A1MAPTHSD17B10ACHEMEN1
SCHEMBL26218806 0.83 MAPT (0.49) ALDH1A1MAPTHSD17B10ACHEMEN1
SCHEMBL9110057 0.83 HSD17B10 (0.48) ALDH1A1MAPTHSD17B10ACHEMEN1
SCHEMBL26218807 0.81 MAPT (0.48) ALDH1A1MAPTKDM4EHSD17B10ACHE
SCHEMBL16357119 0.79 L3MBTL1 (0.48) ALDH1A1MAPTHSD17B10ACHERECQL
SCHEMBL13093643 0.79 HSD17B10 (0.44) ALDH1A1MAPTHSD17B10ACHEMEN1
SCHEMBL23727719 0.77 NPSR1 (0.45) ALDH1A1MAPTHSD17B10ACHEMEN1
SCHEMBL29177330 0.74 HSD17B10 (0.47) ALDH1A1MAPTHSD17B10ACHEMEN1
SCHEMBL12436884 0.74 HSD17B10 (0.47) ALDH1A1MAPTKDM4EHSD17B10ACHE
SCHEMBL10864796 0.73 HSD17B10 (0.45) ALDH1A1MAPTKDM4EHSD17B10ACHE

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-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
CN-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN disclosed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ALDH1A1 2019/4885MAPT 718/4885KDM4E 2721/4885

“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.