SCHEMBL7222639

SCHEMBL7222639

CN(C)CCOc1cccc(I)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.65
▸ CHRNA4 P43681 3/20 0.65
▸ KDM4E B2RXH2 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ LTA4H P09960 2/20 0.54
▸ ESR1 P03372 2/20 0.54
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ PDE1A P54750 1/20 0.48
▸ PDE1B Q01064 1/20 0.48
▸ PDE1C Q14123 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30628302 1.00 CHRNB2 (0.65) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL7229748 0.91 KDM4E (0.56) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL30721819 0.91 KDM4E (0.56) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL28500012 0.83 KDM4E (0.63) KDM4ELTA4HESR1MAPTSMN1; SMN2
SCHEMBL30862627 0.80 CHRNB2 (0.67) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL16858365 0.80 CHRNB2 (0.67) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL8360713 0.80 CHRNB2 (0.67) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL5025139 0.80 CHRNB2 (0.67) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL8552100 0.79 KMT2A (0.59) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL10261014 0.79 KDM4E (0.82) CHRNB2CHRNA4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 — — EP disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 — — WO disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 — — US disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 — — US disclosed
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-28 — — US disclosed
EP-3166937-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2019-09-04 — — EP disclosed
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-08-09 — — US disclosed
US-9968596-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2018-05-15 — — US disclosed
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-01-25 — — US disclosed
US-9808451-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2017-11-07 — — US disclosed
EP-3166937-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF Celgene Corporation (US) 2017-05-17 — — EP disclosed
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2017-01-12 — — US disclosed
US-9499514-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2016-11-22 — — US disclosed
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 — — WO disclosed
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION 2016-01-14 — — US disclosed
WO-2012047764-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2012-04-12 — — WO disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 — — US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 — — US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 — — EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 — — 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 (8 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-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CHRNB2 4804/4885CHRNA4 4875/4885KDM4E 1196/4885
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CHRNB2 4804/4885CHRNA4 4875/4885KDM4E 1196/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX CHRNB2 4804/4885CHRNA4 4875/4885KDM4E 1196/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CHRNB2 4804/4885CHRNA4 4875/4885KDM4E 1196/4885
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CHRNB2 4804/4885CHRNA4 4875/4885KDM4E 1196/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 CHRNB2 4749/4885CHRNA4 4735/4885KDM4E 1571/4885
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CHRNB2 4804/4885CHRNA4 4875/4885KDM4E 1196/4885
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CHRNB2 4804/4885CHRNA4 4875/4885KDM4E 1196/4885

“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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