SCHEMBL2549277

SCHEMBL2549277

CC1CCN(C(=O)c2ccc(-c3nc4ccc(O)cc4s3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SULT1A1 P50225 4/20 0.53
▸ APP P05067 8/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MITF O75030 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ CLK1 P49759 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MGLL Q99685 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL30406206 1.00 SULT1A1 (0.53) SULT1A1APPSMN1; SMN2MAPTNPC1
SCHEMBL19072456 0.82 SULT1A1 (0.44) SULT1A1APPMAPTCLK1DYRK1A
SCHEMBL14916518 0.77 CA12 (0.46) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL14157073 0.77 APP (0.68) SULT1A1APPSMN1; SMN2MAPTNPC1
SCHEMBL14925266 0.75 CLK1 (0.56) SULT1A1APPSMN1; SMN2MAPTTP53
SCHEMBL18475959 0.75 ACHE (0.72) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL5423269 0.74 APP (0.81) SULT1A1APPSMN1; SMN2MAPTNPC1
SCHEMBL4512023 0.73 NPC1 (0.76) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL10722678 0.72 ACHE (0.82) SMN1; SMN2MAPTNPC1TP53RAB9A
SCHEMBL11887840 0.72 KDM4E (0.78) SULT1A1APPSMN1; SMN2MAPTNPC1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 — — US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
CN-103079558-A IRE-1 alpha inhibitors MANNKIND CORP 2013-05-01 — — CN disclosed
EP-2555768-A2 IRE-1 INHIBITORS MannKind Corporation (US) 2013-02-13 — — EP disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 — — WO 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 (5 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 SULT1A1 2692/4885APP 2146/4885SMN1; SMN2 952/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 SULT1A1 2700/4885APP 1427/4885SMN1; SMN2 811/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 SULT1A1 2692/4885APP 2146/4885SMN1; SMN2 952/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 SULT1A1 2700/4885APP 1427/4885SMN1; SMN2 811/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 SULT1A1 2577/4885APP 1860/4885SMN1; SMN2 657/4885

“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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