SCHEMBL12893452

SCHEMBL12893452

CCCCc1ccnc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.55
▸ SKP2 Q13309 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KCNH3 Q9ULD8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10238963 0.88 LOXL2 (0.59) LOXL2NPC1RAB9ACYP3A4ALOX15
SCHEMBL1211287 0.81 LOXL2 (0.55) LOXL2CYP3A4ALOX15TSHRKCNQ2
SCHEMBL12880430 0.80 LOXL2 (0.50) LOXL2CYP3A4ALOX15TSHRKCNQ2
SCHEMBL2993441 0.80 SKP2 (0.44) SKP2NPC1HPGDMAPK1HTT
SCHEMBL6560564 0.80 KDM4E (0.44) SKP2NPC1HPGDMAPK1HTT
SCHEMBL6468413 0.79 — —
SCHEMBL9402852 0.78 SKP2 (0.47) SKP2NPC1HPGDMAPK1HTT
SCHEMBL2619307 0.78 CYP1A2 (0.44) SKP2NPC1HPGDMAPK1HTT
SCHEMBL1146845 0.78 SKP2 (0.43) SKP2NPC1HPGDMAPK1HTT
SCHEMBL12215711 0.78 LOXL2 (0.51) LOXL2RAB9ACYP3A4ALOX15TSHR

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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 — — 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
EP-2085390-A1 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-05 — — 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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 LOXL2 4389/4885SKP2 3595/4885NPC1 1465/4885

“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.

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