SCHEMBL4568516

SCHEMBL4568516

COC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
RIPK1 Q13546 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NPBWR1 P48145 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGAM O43451 2/20 0.39
CDK2 P24941 1/20 0.38

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
SCHEMBL4568563 0.90 MAPT (0.43) MEN1KMT2ADRD2HTR2AHTR2C
SCHEMBL4568098 0.86 MDM4 (0.53) ALDH1A1MAPTSMN1; SMN2
SCHEMBL4568096 0.85 MDM4 (0.42)
SCHEMBL4568095 0.85 TUBB4A (0.53)
SCHEMBL4568460 0.85 TUBB4A (0.46) KMT2AMAPT
SCHEMBL3706006 0.85 MTNR1A (0.48) ALDH1A1SMN1; SMN2
SCHEMBL3703738 0.85 TUBB4A (0.46) MAPT
SCHEMBL4568190 0.83 BRD4 (0.40)
SCHEMBL4568097 0.83 TP53 (0.41) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4568508 0.82 PDE10A (0.48) ALDH1A1MAPT

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MEN1 2993/4885KMT2A 2056/4885DRD2 412/4885

“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.