SCHEMBL10144932

SCHEMBL10144932

Cc1cc(F)c(C)nc1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.38
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TERT O14746 1/20 0.32
ILK Q13418 1/20 0.31
NQO1 P15559 1/20 0.31
KHK P50053 1/20 0.31
IDO1 P14902 1/20 0.31
NCF1 P14598 1/20 0.30

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
SCHEMBL7169609 0.83 KHK (0.39) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL15979054 0.83 KHK (0.39) NOS3NOS1NOS2LMNANQO1
SCHEMBL18697135 0.81 NOS3 (0.39) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL18033375 0.81 NOS3 (0.38) NOS3NOS1NOS2KDM4ETERT
SCHEMBL18554888 0.77 NOS3 (0.35) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL11770568 0.77 LMNA (0.32) LMNAKDM4E
SCHEMBL18951964 0.77 LMNA (0.41) LMNATERTILK
SCHEMBL10144270 0.77 SLC9A1 (0.37) LMNAKDM4EKHK
SCHEMBL30052259 0.77 NOS3 (0.35) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL4331730 0.77 NOS3 (0.33) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694516-B1 BIODEGRADABLE QUINOLONE ANTIBIOTICS LEUPHANA UNIV LUENEBURG STIFTUNG OEFFENTLICHEN RECHTS (DE) 2023-12-13 EP disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
EP-2346855-B1 PROCESS FOR MAKING QUINOLONE COMPOUNDS MELINTA THERAPEUTICS INC (US) 2017-04-05 EP disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NOS3 3372/4885NOS1 3528/4885NOS2 3484/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NOS3 3372/4885NOS1 3528/4885NOS2 3484/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NOS3 3372/4885NOS1 3528/4885NOS2 3484/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NOS3 3372/4885NOS1 3528/4885NOS2 3484/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NOS3 3372/4885NOS1 3528/4885NOS2 3484/4885

“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.