SCHEMBL4297149

SCHEMBL4297149

O=C(C1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
ALDH1A1 P00352 4/20 0.74
HPGD P15428 2/20 0.74
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
TSHR P16473 1/20 0.70
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
DPP7 Q9UHL4 1/20 0.55

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
SCHEMBL4289556 0.99 KMT2A (0.72) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL13609480 0.86 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL4298634 0.85 SMN1; SMN2 (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL2146698 0.83 KMT2A (0.84) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6212951 0.80 L3MBTL3 (0.66) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL27615103 0.80 S1PR5 (0.57) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10947749 0.79 KMT2A (0.76) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4300326 0.79 L3MBTL1 (0.67) KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28690097 0.79 L3MBTL3 (0.64) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL13990656 0.79 L3MBTL3 (0.68) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2

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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 KDM4E 1496/4885ALDH1A1 1550/4885HPGD 595/4885

“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.