SCHEMBL3109276

SCHEMBL3109276

Brc1cnc(-c2ccc(OC3CCCCO3)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.46
DHFR P00374 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ACP1 P24666 1/20 0.35
HSD11B1 P28845 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL7785436 0.83 NPC1 (0.50) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL4898823 0.83 TNK2 (0.43) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL15068100 0.81 MEN1 (0.45) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL5897 0.81 TNK2 (0.40) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL3500438 0.79 TNK2 (0.44) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL15068097 0.78 DHFR (0.38) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL2894278 0.77 DHFR (0.42) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL6510032 0.77 TNK2 (0.44) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL16055037 0.74 HSD11B1 (0.41) TNK2DHFRMEN1KMT2AKDM4C
SCHEMBL15871182 0.74 TNK2 (0.43) TNK2DHFRMEN1KMT2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS TNK2 4019/4885DHFR 2878/4885MEN1 995/4885

“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.