SCHEMBL3048667

SCHEMBL3048667

Nc1ccc(C=CC(=O)c2ccc(I)cc2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ BCHE P06276 1/20 0.49
▸ CYP3A4 P08684 3/20 0.48
▸ CYP1B1 Q16678 1/20 0.46
▸ CXCL12 P48061 1/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ KRAS P01116 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL3048665 1.00 CTSL (0.49) CTSLCTSBBCHECYP3A4CYP1B1
SCHEMBL7922956 0.84 CYP1B1 (0.57) CTSLCTSBBCHECYP3A4CYP1B1
SCHEMBL7922958 0.84 CYP1B1 (0.57) CTSLCTSBBCHECYP3A4CYP1B1
SCHEMBL3042018 0.78 CYP1B1 (0.70) CYP3A4CYP1B1CXCL12CA1CA2
SCHEMBL3042019 0.78 CYP1B1 (0.70) CYP3A4CYP1B1CXCL12CA1CA2
SCHEMBL7017626 0.75 MAPT (0.57) CTSLCTSBCYP3A4CYP1B1CA1
SCHEMBL28383021 0.74 BCHE (0.71) CTSLCTSBBCHECYP3A4CYP1B1
SCHEMBL28888346 0.72 CHRNA7 (0.59) CYP1B1CXCL12CHRNA7MAPTTYR
SCHEMBL27775762 0.71 TYR (0.72) CTSLCTSBBCHECYP3A4CYP1B1
SCHEMBL27631293 0.71 TYR (0.72) CTSLCTSBBCHECYP3A4CYP1B1

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 CTSL 2181/4885CTSB 1581/4885BCHE 81/4885

“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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