SCHEMBL3042019

SCHEMBL3042019

Nc1ccc(C(=O)C=Cc2ccc(I)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 1/20 0.70
▸ MAPT P10636 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ HTT P42858 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ CYP3A4 P08684 4/20 0.59
▸ F3 P13726 2/20 0.58
▸ CXCL12 P48061 2/20 0.57
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ TNFRSF1A P19438 1/20 0.56
▸ KRAS P01116 1/20 0.52

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
SCHEMBL3042018 1.00 CYP1B1 (0.70) CYP1B1MAPTMEN1NPC1ALDH1A1
SCHEMBL3003462 0.91 CYP1B1 (0.82) CYP1B1MAPTMEN1NPC1ALDH1A1
SCHEMBL4970901 0.91 CYP1B1 (0.82) CYP1B1MAPTMEN1NPC1ALDH1A1
SCHEMBL4970910 0.91 CYP1B1 (0.82) CYP1B1MAPTMEN1NPC1ALDH1A1
SCHEMBL3003461 0.91 CYP1B1 (0.82) CYP1B1MAPTMEN1NPC1ALDH1A1
SCHEMBL25201692 0.84 F3 (0.82) CYP1B1MAPTMEN1ALDH1A1LMNA
SCHEMBL24778812 0.84 XDH (0.64) CYP1B1MAPTMEN1LMNANFKB1
SCHEMBL25191745 0.84 F3 (0.82) CYP1B1MAPTMEN1NPC1ALDH1A1
SCHEMBL3762443 0.84 F3 (0.82) CYP1B1MAPTMEN1NPC1ALDH1A1
SCHEMBL25285000 0.84 XDH (0.64) CYP1B1MAPTMEN1LMNANFKB1

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-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE NAGASAKI UNIVERSITY (JP) 2010-11-04 — — US disclosed
EP-2030635-A1 COMPOSITION FOR DIAGNOSING AMYLOID-RELATED DISEASE Nagasaki University (JP) 2009-03-04 — — 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-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE APP, FABP7, APBA1 CYP1B1 3009/4885MAPT 16/4885MEN1 2789/4885

“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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