SCHEMBL2800720

SCHEMBL2800720

CN=C(Nc1ccccc1)NS(=O)(=O)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
PKM P14618 1/20 0.45
HPGD P15428 2/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2800718 1.00 GAA (0.52) GAAALDH1A1KMT2AMEN1PKM
SCHEMBL2801323 0.80 GAA (0.60) GAAALDH1A1KMT2AMEN1PKM
SCHEMBL2789687 0.80 GAA (0.68) GAAALDH1A1KMT2AMEN1PKM
SCHEMBL14417207 0.74 CYP2D6 (0.55) ALDH1A1KMT2APKMHPGDCYP2D6
SCHEMBL4709087 0.72 MEN1 (0.84) GAAALDH1A1KMT2AMEN1PKM
SCHEMBL8692307 0.72 CYP2D6 (0.56) GAAALDH1A1KMT2AMEN1PKM
SCHEMBL9919129 0.71 SCN2A (0.49) GAAALDH1A1KMT2AMEN1PKM
SCHEMBL11184467 0.71 TAS2R38 (0.50) GAAALDH1A1KMT2AMEN1CYP2D6
SCHEMBL28683479 0.70 MEN1 (0.51) GAAALDH1A1KMT2AMEN1CYP2D6
SCHEMBL30116902 0.69 NPC1 (0.53) GAAALDH1A1KMT2APKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E GAA 932/4885ALDH1A1 1066/4885KMT2A 4384/4885

“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.