SCHEMBL2393894

SCHEMBL2393894

CCC(c1ccccn1)N(Cc1ccccn1)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
CYP1A2 P05177 3/20 0.40
TSHR P16473 2/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
STAT6 P42226 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL17350556 0.75 SMN1; SMN2 (0.49) KDM4ECYP1A2TSHRLMNATRPM8
SCHEMBL31327941 0.75 SMN1; SMN2 (0.49) KDM4ECYP1A2TSHRLMNATRPM8
SCHEMBL26620702 0.73 CYP2C19 (0.48) KDM4ECYP1A2TSHRABCB11LMNA
SCHEMBL9504585 0.72 ALDH1A1 (0.46) KDM4ECYP1A2TSHRABCB11LMNA
SCHEMBL2681260 0.68 TSHR (0.55) CYP1A2TSHRLMNAADRA2ACYP2C9
SCHEMBL6666391 0.68 TSHR (0.49) KDM4ECYP1A2TSHRABCB11LMNA
SCHEMBL24316289 0.68 CYP2C19 (0.46) KDM4ECYP1A2TSHRABCB11LMNA
SCHEMBL16626907 0.68 SMN1; SMN2 (0.59) CYP1A2TSHRTRPM8SMN1; SMN2KMT2A
SCHEMBL3957922 0.67 TRPM8 (0.47) KDM4ECYP1A2TSHRLMNAHIF1A
SCHEMBL2187238 0.67 L3MBTL1 (0.55) KDM4ECYP1A2TSHRTRPM8SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110229410-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2011-09-22 US disclosed
US-20090023787-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-01-22 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-20110229410-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF SLC7A5, SLC7A1, AADAT KDM4E 1361/4885CYP1A2 4474/4885TSHR 41/4885
US-20090023787-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF SLC7A5, SLC7A1, AADAT KDM4E 1361/4885CYP1A2 4474/4885TSHR 41/4885

“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.