SCHEMBL15535559

SCHEMBL15535559

COc1cc(C#N)c(-c2ccc(Cl)s2)c(C#N)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FASN P49327 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 3/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL15534868 0.86 ERN1 (0.45) LMNAALDH1A1FASNPDGFRBMAPK1
SCHEMBL15534961 0.82 HSD17B1 (0.35) ALDH1A1ARHSD17B1HSD17B2HPGD
SCHEMBL15534674 0.77 ERN1 (0.49) ARHSD17B1HSD17B2PGRSMN1; SMN2
SCHEMBL29392561 0.76 KDM4E (0.44) LMNAMAPTFASNPDGFRBPDGFRA
SCHEMBL15536667 0.74 MAOA (0.47) LMNAMAPTALDH1A1GAANPSR1
SCHEMBL15535914 0.74 ERN1 (0.47) LMNAALDH1A1FASNPDGFRBPDGFRA
SCHEMBL15547820 0.72 ALDH1A1 (0.42) LMNAMAPTALDH1A1GAAHSD17B10
SCHEMBL29392429 0.72 AR (0.42) LMNAALDH1A1FASNMAPK1HSD17B10
SCHEMBL29389484 0.71 CNR2 (0.41) LMNAALDH1A1FASNMAPK1HSD17B10
SCHEMBL16969071 0.70 ERN1 (0.46) LMNAMAPTALDH1A1GAAFASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 4405/4885MAPT 2140/4885ALDH1A1 42/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT LMNA 4405/4885MAPT 2140/4885ALDH1A1 42/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT LMNA 4405/4885MAPT 2140/4885ALDH1A1 42/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT LMNA 4405/4885MAPT 2140/4885ALDH1A1 42/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT LMNA 4405/4885MAPT 2140/4885ALDH1A1 42/4885

“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.