SCHEMBL21883498

SCHEMBL21883498

O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
GAA P10253 3/20 1.00
MEN1 O00255 1/20 1.00
PKM P14618 2/20 0.79
APOBEC3A P31941 1/20 0.79
APOBEC3G Q9HC16 1/20 0.79
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
TSHR P16473 2/20 0.72
RECQL P46063 1/20 0.70
USP2 O75604 1/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL21800654 0.91 KMT2A (0.84) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL21800626 0.91 KMT2A (0.82) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL21800637 0.89 KMT2A (0.79) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL20258829 0.88 KMT2A (0.83) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL21766071 0.88 GAA (0.79) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL21800716 0.87 KMT2A (0.76) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL20511829 0.87 KMT2A (0.77) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL21800666 0.86 KMT2A (0.74) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL21800694 0.84 KMT2A (0.76) KMT2AGAAMEN1PKMAPOBEC3A
SCHEMBL20258762 0.84 KMT2A (0.76) KMT2AGAAMEN1PKMAPOBEC3A

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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY CS, SLC2A1, SLC2A2 KMT2A 1382/4885GAA 108/4885MEN1 3535/4885

“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.