SCHEMBL4568320

SCHEMBL4568320

COC(=O)c1cccc(C(O)c2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CNR1 P21554 5/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
NPBWR1 P48145 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4568332 0.83 CNR1 (0.41) CNR1ALDH1A1MAPTNPSR1LMNA
SCHEMBL4568313 0.82 PDE3B (0.46) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL4568314 0.81 TUBB4A (0.41) ALDH1A1MAPTNPSR1LMNACYP1A2
SCHEMBL15998657 0.81 KDM4E (0.39) MEN1KMT2ACNR1ALDH1A1MAPT
SCHEMBL3714696 0.80 MAPT (0.43) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL4568317 0.79 TUBB4A (0.41) CNR1MAPT
SCHEMBL4568516 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTNPBWR1
SCHEMBL4568338 0.77 MAPT (0.39) MEN1KMT2ACNR1ALDH1A1MAPT
SCHEMBL4568324 0.77 NR4A2 (0.41) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL4568334 0.77 MAPT (0.39) MEN1KMT2ACNR1ALDH1A1MAPT

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 2056/4885CNR1 4/4885

“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.