SCHEMBL2855201

SCHEMBL2855201

S=CNc1c[nH]c2ccccc12

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 2/20 0.47
CYP3A4 P08684 2/20 0.47
AHR P35869 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IMPDH2 P12268 2/20 0.44
CYP2A6 P11509 2/20 0.44
IMPDH1 P20839 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR2A P28223 2/20 0.42
HTR1A P08908 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
STING1 Q86WV6 4/20 0.42
MPO P05164 1/20 0.42

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
SCHEMBL970522 0.81 IMPDH2 (0.53) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL28743536 0.81 IMPDH2 (0.44) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL6654114 0.77 ATM (0.52) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL27629215 0.75 NPC1 (0.48) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL17595410 0.74 IMPDH2 (0.55) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL28346693 0.74 STING1 (0.49) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL1898356 0.74 ATM (0.48) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL9011712 0.74 STING1 (0.49) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL28420595 0.74 ATM (0.48) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL216179 0.74 ATM (0.54) MEN1KMT2AMAPTCYP3A4AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786079-B2 Substituted nonadepsipeptides AICURIS GMBH & CO. KG. (DE) 2010-08-31 US disclosed
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 EP disclosed
US-20080058251-A1 Substituted nonadepsipeptides BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
EP-1809653-A1 SUBSTITUTED NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006042654-A1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2006-04-27 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 (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-20080058251-A1 Substituted nonadepsipeptides VIP, DNPEP, LNPEP MEN1 1534/4885KMT2A 4664/4885MAPT 4368/4885

“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.