SCHEMBL1690653

SCHEMBL1690653

CC(C)(C)N(CCc1ccccc1I)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 4/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1027707 0.83 KMT2A (0.45) MEN1KMT2AHTTL3MBTL1TAAR1
SCHEMBL1181110 0.81 TAAR1 (0.53) MEN1KMT2AHTTL3MBTL1TAAR1
SCHEMBL1026318 0.79 AOC3 (0.53) MEN1KMT2ATAAR1CYP2C19CYP1A2
SCHEMBL27730951 0.79 TAAR1 (0.44) KMT2ATAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL21247482 0.78 KMT2A (0.63) MEN1KMT2AHTTL3MBTL1TAAR1
SCHEMBL5912959 0.77 MEN1 (0.36) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL5912980 0.77 MEN1 (0.36) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL5912952 0.76 SETDB1 (0.34) MEN1KMT2AHTTL3MBTL1HTR6
SCHEMBL17044839 0.76 CDK4 (0.61) LMNATP53MAPTNPSR1CDK4
SCHEMBL11898599 0.74 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1LMNA

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-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E MEN1 2568/4885KMT2A 2068/4885HTT 2373/4885

“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.