SCHEMBL3744610

SCHEMBL3744610

O=C(O)c1ccc2[nH]c(-c3ccoc3)c(C3CCCCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6387931 0.91 HTR2A (0.44) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1173880 0.79 PARP1 (0.46) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1173816 0.75 PARP1 (0.52) PPARGKMOHTR2AHTR2CKCNH2
SCHEMBL5441010 0.73 MEN1 (0.52) PPARGKMT2AKDM4EALDH1A1HPGD
SCHEMBL1260082 0.72 SCN9A (0.41) SCN9AKDM4EKMORAB9AGSK3B
SCHEMBL6388916 0.72 SCN9A (0.72) SCN9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5444969 0.70 KDM4E (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13095887 0.70 SCN9A (0.56) SCN9AKMOHTR2AHTR2CCYP3A4
SCHEMBL14015100 0.70 PLAT (0.41) SCN9AKMT2AKDM4EKMOCYP3A4
SCHEMBL3242862 0.69 TRIM24 (0.46) PPARGKMOHTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
EP-1587585-B1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF RNA-DEPENDENT RNA (VIRAL) POLYMERASES BOEHRINGER INGELHEIM INT (DE) 2008-10-15 EP disclosed
EP-1587585-B1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF RNA-DEPENDENT RNA (VIRAL) POLYMERASES BOEHRINGER INGELHEIM INT (DE) 2008-10-15 EP disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-7323470-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-29 US disclosed
US-7323470-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-29 US disclosed
US-7323470-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-29 US disclosed
US-7098231-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-29 US disclosed
US-20060189672-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 US disclosed
EP-1587585-A1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF RNA-DEPENDENT RNA (VIRAL) POLYMERASES Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20040186125-A1 E.g , 3-cyclohexyl-2-furan-3-yl-1Hindole-5-carboxylic acid; hepatitis C viricides that target RNA dependent RNA polymerases (Ns5B) in mammals, an enzyme essential to viral replication; used in conjunction with an mmunomodulatory agent, such as beta -, delta - gamma -, and omega -interferon BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 US disclosed
WO-2004064925-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 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 (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-20060189672-A1 Viral polymerase inhibitors POLM, POLR2A, POLR2H SCN9A 1363/4885TUBB4A 448/4885TUBB 390/4885
US-20080119490-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A SCN9A 1217/4885TUBB4A 398/4885TUBB 329/4885
US-20040186125-A1 E.g , 3-cyclohexyl-2-furan-3-yl-1Hindole-5-carboxylic acid; hepatitis C viricides that target RNA dependent RNA polymerases (Ns5B) in mammals, an enzyme essential to viral replication; used in conjunction with an mmunomodulatory agent, such as beta -, delta - gamma -, and omega -interferon IFNAR1, IFNG, EIF2AK2 SCN9A 2239/4885TUBB4A 2400/4885TUBB 1967/4885

“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.