SCHEMBL21385504

SCHEMBL21385504

C=CCNc1ccccc1-c1ccccc1NCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 4/20 0.42
MITF O75030 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NSD2 O96028 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
IDO1 P14902 1/20 0.41
USP2 O75604 2/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL5824157 0.90 KMT2A (0.49) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL1168220 0.84 IDO1 (0.52) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL4784858 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL7702093 0.79 ADRB2 (0.47) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL2492695 0.77 MEN1 (0.45) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL11316134 0.76 HTT (0.45) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL564626 0.76 GABRA1 (0.48) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL1485712 0.75 MAPT (0.59) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL796531 0.75 KMT2A (0.48) KMT2AALDH1A1MITFLMNAHTT
SCHEMBL26064904 0.74 CA12 (0.41) KMT2AALDH1A1MITFLMNAHTT

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-10421738-B2 Chiral cyclodecynes and methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-09-24 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-10421738-B2 Chiral cyclodecynes and methods CYP8B1, CYCS, CYP51A1 KMT2A 2805/4885ALDH1A1 917/4885MITF 3625/4885

“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.