SCHEMBL4071279

SCHEMBL4071279

N#CCS(=O)(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL1194611 0.81 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL3979519 0.81 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL1169955 0.80 CA1 (0.48) KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1958907 0.78 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL1958962 0.77 KIF11 (0.51) KMT2AL3MBTL1
SCHEMBL4250031 0.77 TSHR (0.47) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL6649907 0.75 L3MBTL1 (0.49) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL3247012 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL5745852 0.73 BCHE (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2CYP3A4
Acetic Acid SCHEMBL28858384 0.71 KMT2A (0.51) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
EP-1689710-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2005051908-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2005-06-09 WO disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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 (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-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 KMT2A 1438/4885MEN1 4192/4885ALDH1A1 1400/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 KMT2A 2506/4885MEN1 4794/4885ALDH1A1 66/4885

“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.