SCHEMBL20564646

SCHEMBL20564646

O=c1[nH]c2ccc(/C=N/O)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CREBBP Q92793 1/20 0.47
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
OGT O15294 1/20 0.44
KMO O15229 1/20 0.42
ESR1 P03372 1/20 0.40
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 4/20 0.39

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
Cyanide SCHEMBL22130088 0.80 NOS1 (0.47) NOS1KDM4EALDH1A1CREBBPPDE3B
SCHEMBL3600957 0.80 NOS1 (0.58) NOS1KDM4EALDH1A1CREBBPPDE3B
SCHEMBL17268195 0.74 OGT (0.53) NOS1KDM4EALDH1A1CREBBPPDE3B
SCHEMBL17368453 0.73 NOS1 (0.50) NOS1KDM4EALDH1A1CREBBPPDE3B
SCHEMBL25041248 0.73 KDM4E (0.43) KDM4EALDH1A1PDE3BPDE3AL3MBTL1
SCHEMBL14040625 0.73 NOS1 (0.58) NOS1KDM4EALDH1A1CREBBPPDE3B
SCHEMBL30275144 0.73 KDM4E (0.43) KDM4EALDH1A1PDE3BPDE3AL3MBTL1
SCHEMBL30275170 0.73 KDM4E (0.43) KDM4EALDH1A1PDE3BPDE3AL3MBTL1
SCHEMBL30863879 0.72 NOS1 (0.61) NOS1KDM4EALDH1A1CREBBPPDE3B
SCHEMBL241569 0.72 NOS1 (0.61) NOS1KDM4EALDH1A1CREBBPPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LIGACHEM BIOSCIENCES INC. (KR) 2025-08-19 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
EP-3442973-B1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES INC (KR) 2022-08-31 EP disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 US disclosed
EP-3442973-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Legochem Bioscience Ltd. (KR) 2019-02-20 EP disclosed
WO-2018212534-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2018-11-22 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 (6 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-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NOS1 4314/4885KDM4E 3095/4885ALDH1A1 4207/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 NOS1 4314/4885KDM4E 3095/4885ALDH1A1 4207/4885
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NOS1 4314/4885KDM4E 3095/4885ALDH1A1 4207/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NOS1 4314/4885KDM4E 3095/4885ALDH1A1 4207/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 NOS1 4269/4885KDM4E 3034/4885ALDH1A1 4225/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 NOS1 4269/4885KDM4E 3034/4885ALDH1A1 4225/4885

“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.