SCHEMBL2445893

SCHEMBL2445893

COC(=O)c1cccc2c1Nc1cccc(I)c1C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
TRPA1 O75762 4/20 0.43
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
TDP2 O95551 1/20 0.35
NR4A2 P43354 2/20 0.35
ROCK2 O75116 1/20 0.34
CSF1R P07333 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL2442631 0.84 TRPA1 (0.45) ALOX5TRPA1LMNATSHRRIPK1
SCHEMBL16260461 0.82 ALOX5 (0.58) ALOX5TRPA1LMNATSHRALDH1A1
SCHEMBL2441029 0.82 ALOX5 (0.46) ALOX5TRPA1LMNATSHRALDH1A1
SCHEMBL2445972 0.79 ALOX5 (0.45) ALOX5TRPA1LMNATSHRRIPK1
SCHEMBL2442681 0.79 ALOX5 (0.45) ALOX5TRPA1LMNATSHRRIPK1
SCHEMBL23143494 0.77 ALOX5 (0.58) ALOX5TRPA1LMNATSHRALDH1A1
SCHEMBL1639672 0.76 SMYD3 (0.53) ALOX5TRPA1LMNATSHRRIPK1
SCHEMBL13425531 0.73 ALOX5 (0.47) ALOX5TRPA1LMNATSHRALDH1A1
SCHEMBL11855241 0.72 TRPA1 (0.60) TRPA1LMNATSHRALDH1A1CFTR
SCHEMBL2447960 0.72 ALOX5 (0.43) ALOX5TRPA1LMNATSHRALDH1A1

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 9 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
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
EP-2046789-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-04-15 EP disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 WO disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 ALOX5 4726/4885TRPA1 457/4885LMNA 2206/4885

“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.