SCHEMBL4568036

SCHEMBL4568036

COc1ccc2cc(-c3ccsc3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
PDGFRB P09619 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PDGFRA P16234 3/20 0.50
MAPT P10636 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ITK Q08881 3/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
CA2 P00918 2/20 0.44
FLT3 P36888 2/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44

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
SCHEMBL8761705 0.88 NPC1 (0.64) NPC1PDGFRBRAB9AKDM4EPDGFRA
SCHEMBL4568276 0.85 HPGD (0.42) NPC1PDGFRBRAB9AKDM4EPDGFRA
SCHEMBL7945775 0.81 KDM4E (0.73) NPC1PDGFRBRAB9AKDM4EMAPT
SCHEMBL9287506 0.81 MAOB (0.58) NPC1PDGFRBRAB9AKDM4EPDGFRA
SCHEMBL3699661 0.78 KDM4E (0.77) NPC1PDGFRBRAB9AKDM4EPDGFRA
SCHEMBL5638213 0.78 KDM4E (0.51) NPC1PDGFRBRAB9AKDM4EMAPT
SCHEMBL4568257 0.77 IMPDH2 (0.45) NPC1PDGFRBRAB9AKDM4EPDGFRA
SCHEMBL4568388 0.77 PDGFRB (0.43) NPC1PDGFRBRAB9AKDM4EPDGFRA
SCHEMBL22245708 0.77 KDM4E (0.62) NPC1PDGFRBRAB9AKDM4EMAPT
SCHEMBL6118162 0.76 PDGFRB (0.42) NPC1PDGFRBRAB9AKDM4EPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
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 NPC1 1150/4885PDGFRB 381/4885RAB9A 1646/4885

“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.