SCHEMBL6575977

SCHEMBL6575977

N#CCNc1ccc(CC#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 2/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL12852105 0.85 KMT2A (0.46) KMT2APKMNPC1THRBRAB9A
SCHEMBL18315406 0.81 LOXL2 (0.48) CA2CA9ALDH1A1GAA
SCHEMBL7022152 0.80 KMT2A (0.49) KMT2APKMNPC1THRBRAB9A
SCHEMBL31615188 0.79 MEN1 (0.45) KMT2ACA2CA9THRBMAPT
SCHEMBL6572219 0.79 GAA (0.58) KMT2APKMNPC1THRBRAB9A
SCHEMBL2154504 0.78 KMT2A (0.47) KMT2APKMNPC1THRBRAB9A
SCHEMBL23963317 0.78 TAAR1 (0.47) KMT2ACA2CA9ALDH1A1SMN1; SMN2
SCHEMBL8395286 0.77 MAPT (0.58) KMT2ACA2CA9NPC1THRB
SCHEMBL6575870 0.76 HTT (0.56) KMT2ACA2CA9MAPTHTT
SCHEMBL11230086 0.76 ABL1 (0.45) KMT2APKMNPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 KMT2A 1168/4885PKM 3359/4885CA2 1187/4885

“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.