SCHEMBL4568200

SCHEMBL4568200

CCOC(=O)c1cccc(Cc2c(-c3cscn3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 5/20 0.40
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 4/20 0.39
PTGS2 P35354 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
LMNA P02545 3/20 0.38
TUBB4A P04350 2/20 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
SCHEMBL4568217 0.91 PTGS2 (0.41) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3698700 0.86 TUBB4A (0.44) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4568205 0.83 MAPT (0.40) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4568173 0.81 MAPK13 (0.48) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4568177 0.81 TUBB4A (0.43) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4568199 0.81 ALDH1A1 (0.45) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4568191 0.77 KDM4E (0.40) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4568185 0.77 PTGS2 (0.38) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL3711658 0.77 TUBB4A (0.46) KDM4EALDH1A1HSD17B10HPGDPTGS2
SCHEMBL4568194 0.76 PTGS2 (0.38) KDM4EALDH1A1NPC1MAPTRAB9A

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 KDM4E 3521/4885ALDH1A1 422/4885NPC1 1150/4885

“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.