SCHEMBL18070601

SCHEMBL18070601

CCN1/C(=C/C=C/C=C/c2sc3cc(C)ccc3[n+]2CC)Sc2cc(C)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.70
▸ MEN1 O00255 9/20 0.68
▸ KMT2A Q03164 9/20 0.68
▸ HTT P42858 8/20 0.68
▸ BLM P54132 4/20 0.68
▸ NPC1 O15118 8/20 0.67
▸ RAB9A P51151 8/20 0.67
▸ LMNA P02545 6/20 0.67
▸ POLB P06746 6/20 0.67
▸ MAPT P10636 6/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ RECQL P46063 5/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ NPSR1 Q6W5P4 4/20 0.67
▸ PKM P14618 3/20 0.67
▸ USP2 O75604 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ XBP1 P17861 1/20 0.67

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
SCHEMBL27391249 0.96 PRMT1 (0.75) PRMT1MEN1KMT2AHTTBLM
SCHEMBL18070309 0.94 PRMT1 (0.65) PRMT1MEN1KMT2AHTTBLM
SCHEMBL18070477 0.87 PRMT1 (0.69) PRMT1MEN1KMT2AHTTBLM
SCHEMBL18070270 0.86 PRMT1 (0.59) PRMT1MEN1KMT2AHTTBLM
SCHEMBL31324065 0.86 MEN1 (0.62) PRMT1MEN1KMT2AHTTBLM
SCHEMBL18070361 0.84 MEN1 (0.68) PRMT1MEN1KMT2AHTTBLM
SCHEMBL14848654 0.84 MEN1 (0.68) PRMT1MEN1KMT2AHTTBLM
SCHEMBL26794997 0.83 PRMT1 (0.74) PRMT1MEN1KMT2AHTTBLM
Iodide SCHEMBL29556031 0.82 PRMT1 (0.76) PRMT1MEN1KMT2AHTTBLM
Hydrochloric Acid SCHEMBL29556620 0.82 PRMT1 (0.73) PRMT1MEN1KMT2AHTTBLM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2016-09-15 — — US 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-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 PRMT1 3727/4885MEN1 498/4885KMT2A 4412/4885

“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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