SCHEMBL12051985

SCHEMBL12051985

COC(=O)c1cc2c(s1)CCc1sccc1C2C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
HPGD P15428 6/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 4/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
ATM Q13315 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL13550125 0.91 KDM4E (0.44) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL12051984 0.82 KDM4E (0.42) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL8254333 0.80 ALDH1A1 (0.34) KDM4ESMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL12051998 0.78 KDM4E (0.34) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL13550160 0.74 KDM4E (0.49) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL12051924 0.72 KDM4E (0.43) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL13550073 0.70 KDM4E (0.48) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL1397773 0.67 KDM4E (0.44) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL12051980 0.66 HPGD (0.34) KDM4EHPGDRAB9ASMN1; SMN2MAPK1
SCHEMBL13548827 0.64 CHRNB2 (0.46) KDM4EHPGDRAB9ASMN1; SMN2MAPK1

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
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 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 (2 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 KDM4E 465/4885HPGD 1513/4885RAB9A 4132/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 KDM4E 465/4885HPGD 1513/4885RAB9A 4132/4885

“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.