SCHEMBL8358458

SCHEMBL8358458

O=C(CNCCNC/C=C/c1ccccc1)N1CCSCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
LMNA P02545 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
DPP4 P27487 2/20 0.40
PRMT1 Q99873 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL8361663 0.84 KDM4E (0.46) KDM4ELMNAKMT2AMEN1USP2
SCHEMBL11597357 0.73 PRMT1 (0.55) KDM4EALDH1A1PRMT1RAB9AMAOB
SCHEMBL11597360 0.73 PRMT1 (0.55) KDM4EALDH1A1PRMT1RAB9AMAOB
SCHEMBL8358447 0.73 DPP4 (0.59) KDM4EDPP4
SCHEMBL7433097 0.70 S1PR1 (0.64) KMT2AALDH1A1PRMT1GAARAB9A
SCHEMBL7427930 0.70 S1PR1 (0.64) KMT2AALDH1A1PRMT1GAARAB9A
SCHEMBL6343465 0.69 PAM (0.58) KDM4EALDH1A1PRMT1RAB9AMAOB
SCHEMBL6343467 0.69 PAM (0.58) KDM4EALDH1A1PRMT1RAB9AMAOB
Hydrochloric Acid SCHEMBL27851912 0.69 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1DPP4YAP1
Benzene SCHEMBL27851917 0.68 TGM2 (0.41) KDM4EKMT2AMEN1SMN1; SMN2DPP4

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-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 WO 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-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 KDM4E 2744/4885LMNA 957/4885KMT2A 3682/4885

“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.