SCHEMBL11191

SCHEMBL11191

C#CCCCC(=O)Nc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
BCHE P06276 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 6/20 0.53
HPGD P15428 2/20 0.50

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
SCHEMBL4814628 0.90 BCHE (0.62) CYP1A2CYP3A4CYP2D6HDAC3HDAC4
SCHEMBL13000231 0.79 CYP3A4 (0.90) CYP1A2CYP3A4CYP2D6HDAC3HDAC4
SCHEMBL10788197 0.78 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10913949 0.78 HPGD (0.70) CYP1A2CYP2D6HDAC3HDAC4HDAC1
SCHEMBL16353862 0.78 BCHE (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8082656 0.77 HDAC1 (1.00) CYP3A4HDAC3HDAC4HDAC1HDAC7
SCHEMBL15480452 0.77 BCHE (0.77) CYP1A2CYP3A4HDAC3HDAC4HDAC1
SCHEMBL11928065 0.77 HPGD (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24894245 0.76 CYP3A4 (0.65) CYP1A2CYP3A4CYP2D6HDAC3HDAC4
SCHEMBL2314952 0.76 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6HDAC3HDAC4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
EP-2491037-B1 QUINAZOLIN-4(3H)-ONE DERIVATIVES USED AS PI3 KINASE INHIBITORS RESPIVERT LTD (GB) 2014-04-30 EP disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 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 (4 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-20160264583-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 CYP1A2 67/4885CYP3A4 314/4885CYP2D6 205/4885
US-20140249164-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 CYP1A2 67/4885CYP3A4 314/4885CYP2D6 205/4885
US-20120208799-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 CYP1A2 67/4885CYP3A4 314/4885CYP2D6 205/4885
US-20180118754-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 CYP1A2 67/4885CYP3A4 314/4885CYP2D6 205/4885

“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.