SCHEMBL13426064

SCHEMBL13426064

Cc1cccc2nc3cc(I)ccc3nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 10/20 0.47
RAB9A P51151 7/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 4/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
G6PD P11413 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 2/20 0.43
BLM P54132 2/20 0.43
CASP6 P55212 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL17483584 0.82 NQO2 (0.68) NQO2RAB9AMAPTNPC1POLB
SCHEMBL17483582 0.82 NQO2 (0.68) NQO2RAB9AMAPTNPC1POLB
SCHEMBL24276928 0.82 MAPT (0.41) NQO2RAB9AMAPTNPC1POLB
SCHEMBL183009 0.81 NQO2 (0.57) NQO2RAB9AMAPTNPC1POLB
SCHEMBL13456190 0.79 NQO2 (0.62) NQO2RAB9AMAPTNPC1POLB
SCHEMBL19532330 0.79 NQO2 (0.62) NQO2RAB9AMAPTNPC1POLB
Bromide SCHEMBL11421481 0.79 NQO2 (0.55) NQO2RAB9AMAPTNPC1POLB
SCHEMBL20475325 0.79 RAB9A (0.53) NQO2RAB9AMAPTNPC1POLB
SCHEMBL31643056 0.79 RAB9A (0.53) NQO2RAB9AMAPTNPC1POLB
SCHEMBL17066129 0.79 RAB9A (0.40) NQO2RAB9AMAPTNPC1POLB

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-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 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
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
WO-2009095872-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-06 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 NQO2 444/4885RAB9A 763/4885MAPT 4014/4885

“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.