SCHEMBL144141

SCHEMBL144141

O=C1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=S)N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 6/20 0.45
SCN2A Q99250 1/20 0.45
TDP2 O95551 1/20 0.44
CRBN Q96SW2 2/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
ADRB1 P08588 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL143396 0.86 MAPT (0.61) MEN1KMT2AMAPTSCN2ATDP2
SCHEMBL124716 0.78 MAPT (0.73) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL123633 0.78 GRK5 (0.56) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL10643664 0.76 SCN2A (0.54) MEN1KMT2AMAPTSCN2AGAA
SCHEMBL28932685 0.75 MEN1 (0.42) MEN1KMT2AMAPTSCN2ATDP2
SCHEMBL9478383 0.75 SCN2A (0.54) MEN1KMT2AMAPTSCN2AGAA
SCHEMBL149619 0.75 MEN1 (0.52) MEN1KMT2AMAPTTDP2GAA
SCHEMBL2557016 0.72 SCN2A (0.58) MEN1KMT2AMAPTSCN2AGAA
SCHEMBL11483458 0.70 PGR (0.46) MEN1KMT2AMAPTSCN2ATDP2
SCHEMBL9477902 0.70 HPN (0.55) MEN1KMT2AMAPTSCN2AGAA

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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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 (2 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 MEN1 4480/4885KMT2A 3041/4885MAPT 2242/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS MEN1 4473/4885KMT2A 2961/4885MAPT 2173/4885

“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.