SCHEMBL7423944

SCHEMBL7423944

Oc1cccnc1-c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.61
ALDH1A1 P00352 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM4E B2RXH2 5/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.50
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30216796 1.00 CYP2A6 (0.61) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL32685348 0.84 KDM4E (0.51) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL32685363 0.82 KDM4E (0.53) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL28181896 0.82 PTGS2 (0.64) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL30032 0.82 PTGS2 (0.64) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL31635952 0.82 PTGS2 (0.64) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL243950 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL29872769 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7092910 0.81 CYP2A6 (0.67) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL16026727 0.80 PTGS2 (0.62) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417857-A Piperidine alkaloid in traditional Chinese medicine alangium chinense, and extraction, purification and semisynthesis method and application thereof 贵州中医药大学 2022-12-02 CN disclosed
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
EP-2970173-A1 INHIBITORS OF THE KYNURENINE PATHWAY Curadev Pharma Private Ltd. (IN) 2016-01-20 EP disclosed
WO-2014186035-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2014-11-20 WO disclosed
WO-2014186035-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2014-11-20 WO disclosed
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 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-10294212-B2 Inhibitors of the kynurenine pathway IDO1, IDO2, KYNU CYP2A6 132/4885ALDH1A1 909/4885CYP1A2 30/4885
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, IDO2, KYNU CYP2A6 132/4885ALDH1A1 909/4885CYP1A2 30/4885
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, KYNU, IDO2 CYP2A6 125/4885ALDH1A1 911/4885CYP1A2 26/4885

“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.