SCHEMBL5223314

SCHEMBL5223314

COc1ccc(N)cc1NC=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
USP2 O75604 1/20 0.47
RAD52 P43351 1/20 0.46
GFER P55789 1/20 0.46
PYGL P06737 1/20 0.45
MAPT P10636 5/20 0.43
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.42
CYP19A1 P11511 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR4A1 P22736 1/20 0.41
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1758834 0.80 ACHE (0.50) ALDH1A1KDM4EMAPTMAPK1GAA
SCHEMBL1758614 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2MAPTMAPK1
SCHEMBL9347449 0.79 TSHR (0.51) ALDH1A1GFERMAPTMAPK1NPSR1
SCHEMBL1758548 0.79 KMT2A (0.57) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL19677081 0.79 HTT (0.48) ALDH1A1KDM4EUSP2PYGLMAPT
SCHEMBL28617698 0.78 HTT (0.47) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL3241465 0.77 BRD4 (0.54) ALDH1A1KDM4EUSP2RAD52GFER
SCHEMBL11344842 0.77 MAPT (0.52) ALDH1A1KDM4EUSP2RAD52GFER
SCHEMBL25557097 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2RAD52GFER
SCHEMBL11029210 0.76 KDM4E (0.44) ALDH1A1KDM4EMAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866307-A1 SYNTHESIS OF PYRROLOQUINOLINE QUINONE (PQQ) CLF Medical Technology Acceleration Program, Inc. (US) 2007-12-19 EP claimed
US-20070072894-A1 Synthesis of pyrroloquinoline quinone (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. 2007-03-29 US claimed
WO-2006102642-A1 SYNTHESIS OF PYRROLOQUINOLINE QUINONE (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. (US) 2006-09-28 WO claimed
EP-2918585-B1 PYRROLOQUINOLINE QUINONE DISODIUM SALT CRYSTAL ZHUCHENG HAOTIAN PHARM CO LTD (CN) 2017-09-06 EP disclosed
US-9695164-B2 Crystalline forms of pyrroloquinoline quinone disodium salt ZHUCHENG HAOTIAN PHARM CO., LTD. (CN) 2017-07-04 US disclosed
US-20150291583-A1 CRYSTALLINE FORMS OF PYRROLOQUINOLINE QUINONE DISODIUM SALT ZHUCHENG HAOTIAN PHARM CO., LTD. (CN) 2015-10-15 US disclosed
EP-2918585-A1 PYRROLOQUINOLINE QUINONE DISODIUM SALT CRYSTAL Zhucheng Haotian Pharm Co., Ltd. (CN) 2015-09-16 EP disclosed
US-20140178316-A1 SKIN TREATMENTS CONTAINING PYRROLOQUINOLINE QUINONE (PQQ) ESTERS AND METHODS OF PREPARATION AND USE THEREOF US COSMECEUTECHS, LLC (US) 2014-06-26 US disclosed
US-20140178316-A1 SKIN TREATMENTS CONTAINING PYRROLOQUINOLINE QUINONE (PQQ) ESTERS AND METHODS OF PREPARATION AND USE THEREOF US COSMECEUTECHS, LLC (US) 2014-06-26 US disclosed
WO-2012170378-A1 SKIN TREATMENTS CONTAINING PYRROLOQUINOLINE QUININE (PQQ) ESTERS AND METHODS OF PREPARATION AND USE THEREOF US COSMECEU TECHS, LLC (US) 2012-12-13 WO disclosed
CN-101193888-A Synthesis method of pyrroloquinoline quinone (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM INC (US) 2008-06-04 CN disclosed
EP-1866307-A1 SYNTHESIS OF PYRROLOQUINOLINE QUINONE (PQQ) CLF Medical Technology Acceleration Program, Inc. (US) 2007-12-19 EP disclosed
US-20070072894-A1 Synthesis of pyrroloquinoline quinone (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. 2007-03-29 US disclosed
US-20070072894-A1 Synthesis of pyrroloquinoline quinone (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. 2007-03-29 US disclosed
US-20070072894-A1 Synthesis of pyrroloquinoline quinone (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. 2007-03-29 US disclosed
WO-2006102642-A1 SYNTHESIS OF PYRROLOQUINOLINE QUINONE (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. (US) 2006-09-28 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 (3 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-20150291583-A1 CRYSTALLINE FORMS OF PYRROLOQUINOLINE QUINONE DISODIUM SALT SFPQ, RECQL, AQP1 ALDH1A1 1085/4885KDM4E 2287/4885USP2 3494/4885
US-20140178316-A1 SKIN TREATMENTS CONTAINING PYRROLOQUINOLINE QUINONE (PQQ) ESTERS AND METHODS OF PREPARATION AND USE THEREOF POLQ, NQO1, CUTA ALDH1A1 1227/4885KDM4E 221/4885USP2 911/4885
US-20070072894-A1 Synthesis of pyrroloquinoline quinone (PQQ) QPCT, SYNCRIP, SFPQ ALDH1A1 3446/4885KDM4E 730/4885USP2 2631/4885

“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.