SCHEMBL2436089

SCHEMBL2436089

NCc1ccccc1C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
SLC6A3 Q01959 2/20 0.38
EPHX2 P34913 1/20 0.38
TGFBR1 P36897 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EP300 Q09472 1/20 0.35

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
SCHEMBL10671807 0.88 P2RX3 (0.40) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL29750678 0.82 NPC1 (0.51) P2RX3GSTP1GSTM2SLC6A3TGFBR1
SCHEMBL24199697 0.80 TDP1 (0.57) MEN1KMT2ATDP1
SCHEMBL29633838 0.80 SLC6A3 (0.38) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL4082004 0.79 GSTP1 (0.49) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL10671815 0.78 SLC6A3 (0.39) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL30423559 0.76 P2RX7 (0.50) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL5020592 0.75 P2RX3 (0.51) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL28741551 0.75 P2RX3 (0.39) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL10677832 0.74 MGLL (0.41) P2RX3EPHX2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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 (2 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 P2RX3 1326/4885CCNA2 505/4885CDK2 338/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 P2RX3 1326/4885CCNA2 505/4885CDK2 338/4885

“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.