SCHEMBL4568474

SCHEMBL4568474

COC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(C4CC4)c(F)cc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
PARP1 P09874 1/20 0.37
ADORA2A P29274 1/20 0.37
PDE2A O00408 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APOL1 O14791 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL4568479 0.94 PDK2 (0.38) PDK2PDK4PARP1ADORA2AAPOL1
SCHEMBL4568500 0.91 MTNR1A (0.41) MTNR1AMTNR1BPDK2PDK4PARP1
SCHEMBL4568489 0.90 PDK2 (0.41) MTNR1AMTNR1BPDK2PDK4PARP1
SCHEMBL3708968 0.90 PDE2A (0.37) PDE2A
SCHEMBL4568476 0.89 TUBB4A (0.40) PDK2PDK4PARP1ADORA2AKDM4E
SCHEMBL4568469 0.87 PARP1 (0.42) MTNR1AMTNR1BPARP1ADORA2AKDM4E
SCHEMBL4568464 0.86 ADORA2A (0.39) MTNR1AMTNR1BPARP1ADORA2AKDM4E
SCHEMBL4568428 0.85 TLR9 (0.41) MTNR1AMTNR1BPARP1PDE2ATUBB4A
SCHEMBL3705387 0.85 CNR2 (0.39) APOL1
SCHEMBL4568485 0.85 KDM4E (0.41) MTNR1AMTNR1BPARP1ADORA2AKDM4E

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 3 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
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 MTNR1A 19/4885MTNR1B 14/4885PDK2 2782/4885

“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.