SCHEMBL3113153

SCHEMBL3113153

Nc1nnc(-c2ccc(-c3cnc(N4CCC(OC5CCCCC5)CC4)nc3)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.42
PIM3 Q86V86 10/20 0.42
PIM2 Q9P1W9 10/20 0.42
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MGAM O43451 3/20 0.38
GAA P10253 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
LMNA P02545 2/20 0.38
NOTUM Q6P988 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCD O00767 1/20 0.37

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
SCHEMBL13098826 0.99 PIM1 (0.43) PIM1PIM3PIM2KDM4ESMN1; SMN2
SCHEMBL3096396 0.88 HRH3 (0.37) PIM1PIM3PIM2SCD
SCHEMBL13098829 0.86 HRH3 (0.36) PIM1PIM3PIM2RAB9ANPC1
SCHEMBL6132879 0.85 KDM4E (0.43) PIM1PIM3PIM2KDM4ESMN1; SMN2
SCHEMBL13273259 0.83 HRH3 (0.43)
SCHEMBL13273465 0.81 HRH3 (0.40)
SCHEMBL3102261 0.81 HRH3 (0.43)
SCHEMBL3107287 0.81 HRH3 (0.43)
SCHEMBL13273652 0.80 HRH3 (0.43) SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL13099102 0.80 HRH3 (0.40)

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 PIM1 471/4885PIM3 700/4885PIM2 719/4885

“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.