SCHEMBL3747486

SCHEMBL3747486

COC(=O)c1ccc2c(c1)c(C)c(Br)n2C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
RPS6KB1 P23443 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41

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
SCHEMBL12051166 0.99 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL3752695 0.83 RPS6KB1 (0.49) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL12051172 0.82 RPS6KB1 (0.48) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL28267709 0.79 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL3750336 0.77 RPS6KB1 (0.42) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL12051162 0.76 KCNH2 (0.53) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL13011205 0.74 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL13635205 0.74 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL13011202 0.74 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1
SCHEMBL7359487 0.73 ALDH1A1 (0.47) ALDH1A1NPSR1SMN1; SMN2ATMRPS6KB1

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 15 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
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 ALDH1A1 1245/4885NPSR1 2914/4885SMN1; SMN2 2100/4885
US-20080119490-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ALDH1A1 1320/4885NPSR1 2644/4885SMN1; SMN2 1978/4885
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 ALDH1A1 938/4885NPSR1 3760/4885SMN1; SMN2 2171/4885

“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.