SCHEMBL18158924

SCHEMBL18158924

CNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)c1cnc(SCl)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 3/20 0.35
MITF O75030 2/20 0.35
MAPK1 P28482 2/20 0.35
CA2 P00918 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18158922 0.77 PSMD14 (0.42) MAPTLMNAMEN1KMT2AHTT
SCHEMBL31030181 0.76 SMN1; SMN2 (0.39) MAPTLMNAMEN1KMT2AHTT
SCHEMBL31030198 0.74 MAPT (0.36) MAPTLMNAMEN1KMT2AHTT
SCHEMBL31030192 0.68 MAPT (0.43) MAPTLMNAMEN1KMT2AHTT
SCHEMBL31030201 0.67 THRA (0.39) MAPTKMT2ASMN1; SMN2NPC1MITF
SCHEMBL24257931 0.67 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL18158928 0.67 CLPP (0.33) MAPTLMNAMEN1KMT2AHTT
SCHEMBL16260534 0.66 LMNA (0.48) MAPTLMNAMEN1KMT2AHTT
SCHEMBL22297332 0.66 TSHR (0.41) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL21906800 0.66 TSHR (0.41) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 US 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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 MAPT 3717/4885LMNA 4478/4885MEN1 514/4885

“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.