SCHEMBL4568563

SCHEMBL4568563

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
RIPK1 Q13546 1/20 0.43
NPBWR1 P48145 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
MGAM O43451 1/20 0.40

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
SCHEMBL4568516 0.90 MEN1 (0.41) MAPTRIPK1NPBWR1NPC1RAB9A
SCHEMBL15998649 0.84 KDM4E (0.40) MAPTMAPK10MEN1KMT2AALDH1A1
SCHEMBL4568206 0.83 TUBB4A (0.43) CNR1
SCHEMBL3701174 0.83 MDM4 (0.51) MEN1KMT2AALDH1A1HPGD
SCHEMBL4568560 0.83 TUBB4A (0.43)
SCHEMBL3708494 0.83 TUBB4A (0.50)
SCHEMBL3703087 0.82 GPR17 (0.41)
SCHEMBL4568157 0.82 KIF11 (0.42)
SCHEMBL4568209 0.81 CNR1 (0.42) CNR1
SCHEMBL3702535 0.81 TUBB4A (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 MAPT 3199/4885RIPK1 3405/4885NPBWR1 170/4885

“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.