SCHEMBL18526325

SCHEMBL18526325

O=C(NCCOCCOCCCCCCCl)c1ccc2c(c1)C1(OC2=O)c2ccc(N3CC(F)(F)C3)cc2Oc2cc(N3CC(F)(F)C3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.40
▸ RORC P51449 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ FTO Q9C0B1 2/20 0.31
▸ HPGD P15428 2/20 0.31

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
SCHEMBL18526322 0.92 NT5E (0.41) NT5ERORCTTRKCNH2JAK2
SCHEMBL29720341 0.91 KCNH2 (0.34) NT5ERORCKCNH2KLKB1MAPT
SCHEMBL18526377 0.91 KCNH2 (0.34) NT5ERORCKCNH2KLKB1MAPT
SCHEMBL24942508 0.89 NT5E (0.40) NT5ERORCTTRKCNH2JAK2
SCHEMBL30112567 0.89 NT5E (0.40) NT5ERORCTTRKCNH2JAK2
SCHEMBL31696933 0.88 NT5E (0.37) NT5ERORCTTRKCNH2JAK2
SCHEMBL23651247 0.88 NT5E (0.39) NT5ERORCTTRKCNH2JAK2
SCHEMBL31398727 0.88 NT5E (0.39) NT5ERORCTTRKCNH2JAK2
SCHEMBL24942980 0.87 NT5E (0.39) NT5ERORCTTRKCNH2JAK2
SCHEMBL30112650 0.87 NT5E (0.39) NT5ERORCTTRKCNH2JAK2

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-20190107534-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2019-04-11 — — US disclosed
US-20180172677-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2018-06-21 — — US disclosed
US-9933417-B2 Azetidine-substituted fluorescent compounds HOWARD HUGHES MEDICAL INSTITUTE (US) 2018-04-03 — — US disclosed
US-20170045501-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2017-02-16 — — 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 (3 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-20170045501-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS AANAT, HNMT, CHAT NT5E 224/4885RORC 3122/4885TTR 2795/4885
US-20180172677-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS AANAT, HNMT, CHAT NT5E 224/4885RORC 3122/4885TTR 2795/4885
US-20190107534-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS AANAT, HNMT, CHAT NT5E 224/4885RORC 3122/4885TTR 2795/4885

“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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