SCHEMBL2445663

SCHEMBL2445663

CCOC(=O)Nc1cc(I)c(N)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL9116458 0.87 RECQL (0.53) DPP4RECQLCYP1A2CYP2C9CYP2C19
SCHEMBL2447936 0.79 ALDH1A1 (0.52) DPP4RECQLCYP1A2CYP2C9CYP2C19
SCHEMBL2071192 0.77 CYP1A2 (0.56) DPP4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7250895 0.76 DPP4 (0.48) DPP4RECQLCYP1A2CYP2C9CYP2C19
SCHEMBL10192134 0.75 CYP1A2 (0.71) RECQLCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL17709617 0.74 KDM4E (0.51) CYP1A2CYP2C9ALDH1A1TSHRLMNA
SCHEMBL2070682 0.72 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL24825908 0.72 ALDH1A1 (0.59) RECQLCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30045677 0.72 ALDH1A1 (0.59) RECQLCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5972454 0.71 CYP1A2 (0.56) DPP4RECQLCYP1A2CYP2C9CYP2C19

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
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
EP-2363399-A1 Labelled analogues of halobenzamides as radiopharmaceuticals INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-09-07 EP disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 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 (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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 DPP4 2701/4885RECQL 660/4885CYP1A2 1084/4885

“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.