SCHEMBL741195

SCHEMBL741195

O=C1CN(C(=O)O)Cc2cccc3[nH]cc1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
ROCK1 Q13464 1/20 0.35
ROCK2 O75116 1/20 0.35
STAT3 P40763 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
DNMT1 P26358 1/20 0.35

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
SCHEMBL4555519 0.76 GABRA1 (0.48) PARP1GABRA1GABRG2GABRB3GABRA3
SCHEMBL29375980 0.74 KMT2A (0.46) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL28695007 0.74 KMT2A (0.46) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL10672758 0.72 PARP1 (0.51) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL11872266 0.71 NOTUM (0.56) PARP1GABRA1GABRG2GABRB3GABRA3
SCHEMBL29758685 0.67 NOTUM (0.64) MEN1MAPTKMT2A
SCHEMBL2533362 0.67 NOTUM (0.64) MEN1MAPTKMT2A
SCHEMBL740874 0.66 HTR6 (0.48) MEN1KMT2AGAAHTR3A
SCHEMBL17700036 0.66 NOTUM (0.41) PARP1
SCHEMBL29182453 0.66 PDE4B (0.41) PARP1ALDH1A1GAAL3MBTL1

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-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B PARP1 2147/4885GABRA1 371/4885GABRG2 651/4885

“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.