SCHEMBL18526322

SCHEMBL18526322

O=C(NCCOCCOCCCCCCCl)c1ccc2c(c1)C1(OC2=O)c2ccc(N3CCC3)cc2Oc2cc(N3CCC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.41
▸ RORC P51449 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ USP2 O75604 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TLR2 O60603 2/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL23651247 0.96 NT5E (0.39) NT5ERORCTTROPRM1USP2
SCHEMBL31398727 0.96 NT5E (0.39) NT5ERORCTTROPRM1USP2
SCHEMBL18526325 0.92 NT5E (0.40) NT5ERORCTTROPRM1USP2
SCHEMBL24942508 0.91 NT5E (0.40) NT5ERORCTTROPRM1SMN1; SMN2
SCHEMBL30112567 0.91 NT5E (0.40) NT5ERORCTTROPRM1SMN1; SMN2
SCHEMBL18526372 0.90 OPRM1 (0.37) NT5EOPRM1USP2ALDH1A1SMN1; SMN2
SCHEMBL24942980 0.89 NT5E (0.39) NT5ERORCTTROPRM1USP2
SCHEMBL30112650 0.89 NT5E (0.39) NT5ERORCTTROPRM1USP2
SCHEMBL23636528 0.89 NT5E (0.41) NT5ERORCTTROPRM1USP2
SCHEMBL18526374 0.89 OPRM1 (0.36) NT5EOPRM1USP2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009503-A1 2-DIAZO-3-OXO-2,3-DIHYDROSPIRO[INDENE-1,9'-XANTHENE] DERIVATIVES AND SIMILAR COMPOUNDS AS PHOTOACTIVE FLUORESCENT COMPOUNDS FOR PROTEIN LABELING EIKON THERAPEUTICS INC. (US) 2023-02-02 — — WO disclosed
US-20190107534-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2019-04-11 — — US disclosed
US-10018624-B1 Azetidine-substituted fluorescent compounds HOWARD HUGHES MEDICAL INSTITUTE (US) 2018-07-10 — — 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 (4 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-10018624-B1 Azetidine-substituted fluorescent compounds AANAT, HNMT, CHAT NT5E 224/4885RORC 3122/4885TTR 2795/4885
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.

Send feedback