SCHEMBL4035865

SCHEMBL4035865

CC(=O)Nc1nccc2cc3cccnc3n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AHR P35869 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
AKT1 P31749 1/20 0.36
POLB P06746 4/20 0.36
CYP1A2 P05177 1/20 0.36
PARP1 P09874 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 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
SCHEMBL4028663 0.75 MET (0.42) MEN1KMT2A
SCHEMBL4027701 0.74 ALDH1A1 (0.55) MEN1KMT2ASLC40A1TDP1POLB
SCHEMBL14269055 0.73 SLC22A12 (0.38) MEN1KMT2ACYP1A2PARP1KDM4E
SCHEMBL13812076 0.73 MEN1 (0.37) MEN1KMT2ATDP1POLBCYP1A2
SCHEMBL4033403 0.71 MEN1 (0.44) MTNR1AMEN1KMT2AADORA3AKT1
SCHEMBL4033131 0.70 CDK9 (0.43) MEN1KMT2ATDP1AKT1POLB
SCHEMBL13847790 0.68 CDK9 (0.51) MEN1KMT2AADORA3AKT1POLB
SCHEMBL13220600 0.67 CDK9 (0.47) MTNR1AMEN1KMT2AADORA3AKT1
SCHEMBL20732519 0.65 MEN1 (0.57) MEN1KMT2ASLC40A1TDP1POLB
SCHEMBL31076256 0.65 MEN1 (0.60) MEN1KMT2ASLC40A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 US disclosed
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 EP disclosed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 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-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT MTNR1A 2311/4885MEN1 2136/4885KMT2A 1287/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP MTNR1A 2052/4885MEN1 2386/4885KMT2A 1337/4885

“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.