SCHEMBL682199

SCHEMBL682199

COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c([N+](=O)[O-])c3c(c2OC)OCO3)CCN1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 1.00
TUBB P07437 4/20 1.00
TUBA3C P0DPH7 4/20 1.00
TUBA1B P68363 4/20 1.00
TUBA4A P68366 4/20 1.00
TUBB4B P68371 4/20 1.00
TUBB3 Q13509 4/20 1.00
TUBB2A Q13885 4/20 1.00
TUBB8 Q3ZCM7 4/20 1.00
TUBA3E Q6PEY2 4/20 1.00
TUBA1A Q71U36 4/20 1.00
TUBA1C Q9BQE3 4/20 1.00
TUBB6 Q9BUF5 4/20 1.00
TUBB2B Q9BVA1 4/20 1.00
TUBB1 Q9H4B7 4/20 1.00
CYP3A4 P08684 6/20 0.65
CYP2C9 P11712 4/20 0.65
CYP2C19 P33261 4/20 0.65
CYP1A2 P05177 2/20 0.65
ABCB11 O95342 1/20 0.65

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
SCHEMBL2050272 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13284579 0.91 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL682468 0.90 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL682203 0.90 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL676699 0.87 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL676906 0.87 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL676698 0.87 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12635400 0.87 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL676907 0.87 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29584050 0.87 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889705-B2 Noscapine analogs and their use in treating cancers EMORY UNIVERSITY (US) 2014-11-18 US disclosed
US-8841317-B2 Noscapine and analogs and methods related thereto EMORY UNIVERSITY (US) 2014-09-23 US disclosed
US-8841317-B2 Noscapine and analogs and methods related thereto EMORY UNIVERSITY (US) 2014-09-23 US disclosed
US-20130224310-A1 NOSCAPINE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2013-08-29 US disclosed
US-8426398-B2 Conjugates of noscapine and folic acid and their use in treating cancer EMORY UNIVERSITY (US) 2013-04-23 US disclosed
US-20130045203-A1 Uses of Noscapine and Derivatives in Subjects Diagnosed with FAP EMORY UNIVERSITY (US) 2013-02-21 US disclosed
US-20110286919-A1 CONJUGATES OF NOSCAPINE AND FOLIC ACID AND THEIR USE IN TREATING CANCER EMORY UNIVERSITY (US) 2011-11-24 US disclosed
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 US disclosed
EP-2328578-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION Emory University (US) 2011-06-08 EP disclosed
US-20100227878-A1 NOSCAPINE ANALOGS AND THEIR USE IN TREATING CANCERS, INCLUDING DRUG-RESISTANT CANCERS EMORY UNIVERSITY (US) 2010-09-09 US disclosed
WO-2010083104-A2 CONJUGATES OF NOSCAPINE AND FOLIC ACID AND THEIR USE IN TREATING CANCER EMORY UNIVERSITY (US) 2010-07-22 WO disclosed
WO-2010030582-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION EMORY UNIVERSITY (US) 2010-03-18 WO disclosed
WO-2010030582-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION EMORY UNIVERSITY (US) 2010-03-18 WO disclosed
WO-2008109609-A1 NOSCAPINE ANALOGS AND THEIR USE IN TREATING CANCERS, INCLUDING DRUG-RESISTANT CANCERS EMORY UNIVERSITY (US) 2008-09-12 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-20100227878-A1 NOSCAPINE ANALOGS AND THEIR USE IN TREATING CANCERS, INCLUDING DRUG-RESISTANT CANCERS CASP3, BCL3, TOP1 TUBB4A 24/4885TUBB 9/4885TUBA3C 15/4885
US-20130224310-A1 NOSCAPINE ANALOGS AND THEIR USE IN TREATING CANCERS TUBA1C, TUBB1, TUBB3 TUBB4A 9/4885TUBB 4/4885TUBA3C 6/4885
US-20110286919-A1 CONJUGATES OF NOSCAPINE AND FOLIC ACID AND THEIR USE IN TREATING CANCER FOLR1, FOLR2, DHFR TUBB4A 2968/4885TUBB 3211/4885TUBA3C 3044/4885
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition NOS1, NOS2, TBCA TUBB4A 13/4885TUBB 8/4885TUBA3C 21/4885
US-20130045203-A1 Uses of Noscapine and Derivatives in Subjects Diagnosed with FAP APC, FAP, NTPCR TUBB4A 2727/4885TUBB 3171/4885TUBA3C 4007/4885

“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.