SCHEMBL15535018

SCHEMBL15535018

N#Cc1cc(O)c(O)c(C#N)c1-c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.43
MYC P01106 1/20 0.42
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SOS1 Q07889 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
SCHEMBL15535786 0.78 TSHR (0.42) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL15535006 0.77 MAOA (0.44) KDM4EALDH1A1
SCHEMBL15535538 0.76 MCL1 (0.43) KDM4EALDH1A1CA1CA2
SCHEMBL1343584 0.75 CYP3A4 (0.49) HNF4AMYCKDM4ECA12ALDH1A1
SCHEMBL15534641 0.75 SLC22A12 (0.43) FNTAFNTBKDM4ECA12ALDH1A1
SCHEMBL16969081 0.74 XDH (0.46) KDM4E
SCHEMBL15534959 0.74 ADORA1 (0.47)
SCHEMBL10697723 0.74 CYP3A4 (0.47) HNF4AMYCALDH1A1
SCHEMBL15549106 0.72 ESR1 (0.33)
SCHEMBL15534862 0.71 HPGDS (0.40) FNTAFNTBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US claimed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP claimed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 WO claimed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 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 (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-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HNF4A 2349/4885MYC 1803/4885FNTA 632/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HNF4A 2349/4885MYC 1803/4885FNTA 632/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HNF4A 2349/4885MYC 1803/4885FNTA 632/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HNF4A 2349/4885MYC 1803/4885FNTA 632/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HNF4A 2349/4885MYC 1803/4885FNTA 632/4885

“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.