SCHEMBL12767390

SCHEMBL12767390

Cc1ccc(O)c(/C=N/c2cccc([N+](=O)[O-])c2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ MEN1 O00255 8/20 0.50
▸ KMT2A Q03164 8/20 0.50
▸ ALDH1A1 P00352 8/20 0.50
▸ POLB P06746 5/20 0.50
▸ RECQL P46063 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ THRB P10828 3/20 0.48
▸ BLM P54132 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ BCL2L1 Q07817 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL13982422 0.88 ALDH1A1 (0.55) MAPTKDM4ELMNAHTTMEN1
SCHEMBL12767371 0.85 NPSR1 (0.49) MAPTKDM4ELMNAHTTMEN1
SCHEMBL12767387 0.83 MEN1 (0.50) MAPTKDM4ELMNAHTTMEN1
SCHEMBL4341357 0.79 MAPT (0.77) MAPTKDM4ELMNAHTTMEN1
SCHEMBL4341359 0.79 MAPT (0.77) MAPTKDM4ELMNAHTTMEN1
SCHEMBL22624794 0.78 MAPT (0.66) MAPTKDM4ELMNAHTTMEN1
SCHEMBL28483618 0.78 MAPT (0.66) MAPTKDM4ELMNAHTTMEN1
SCHEMBL12767315 0.77 MAPT (0.56) MAPTKDM4ELMNAHTTMEN1
SCHEMBL13639924 0.77 NPSR1 (0.59) MAPTKDM4ELMNAHTTMEN1
SCHEMBL18717408 0.77 ALDH1A1 (0.60) MAPTKDM4ELMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 — — US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 — — US disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 — — US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 — — US disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 — — US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 — — US disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 — — 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 MAPT 3095/4885KDM4E 3278/4885LMNA 1886/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 MAPT 3095/4885KDM4E 3278/4885LMNA 1886/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 MAPT 3095/4885KDM4E 3278/4885LMNA 1886/4885

“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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