SCHEMBL24198544

SCHEMBL24198544

N=C(Nc1ccc2ccccc2c1)SCCCCCCCCSC(=N)Nc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 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
SCHEMBL24198615 0.86 MAPT (0.37) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL27692288 0.77 RAB9A (0.54) MEN1KMT2AMAPTPOLBL3MBTL1
Iodide SCHEMBL1286904 0.76 RAB9A (0.53) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL10033645 0.74 ALDH1A1 (0.50) MEN1KMT2APOLBL3MBTL1RAB9A
SCHEMBL12650603 0.71 NR1H4 (0.46) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL1996357 0.71 SIGMAR1 (0.57) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL27003089 0.69 RAB9A (0.68) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL23332264 0.68 NPC1 (0.56) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL10033639 0.68 NAPRT (0.58) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL516844 0.67 RAB9A (0.65) MEN1KMT2AMAPTPOLBL3MBTL1

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-20220009884-A1 MITOCHONDRIAL ACTIVITY INHIBITORS TARGETING TUMORAL METABOLISM UNIVERSITE GRENOBLE ALPES (FR) 2022-01-13 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-20220009884-A1 MITOCHONDRIAL ACTIVITY INHIBITORS TARGETING TUMORAL METABOLISM NDUFAB1, CYP11B1, ME3 MEN1 2078/4885KMT2A 3390/4885MAPT 3689/4885

“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.