SCHEMBL466438

SCHEMBL466438

Cc1ccc2oc[c]c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NQO1 P15559 1/20 0.38
LMNA P02545 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
SCHEMBL1304737 0.78 ESR2 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL209082 0.72 ALDH1A1 (0.34) ALDH1A1CYP3A4MAOBKDM4ESMN1; SMN2
SCHEMBL466442 0.72 MAOB (0.47) ALDH1A1CYP3A4MAOBMAOAKDM4E
SCHEMBL932337 0.69 MAOA (0.59) ALDH1A1CYP3A4MAOBMAOAKDM4E
SCHEMBL208818 0.68 CYP1A2 (0.33) ALDH1A1CYP3A4MAOBKDM4ESMN1; SMN2
SCHEMBL5013425 0.68 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1611070 0.66 ALPG (0.59) ALDH1A1CYP3A4KDM4ESMN1; SMN2NPC1
SCHEMBL12646917 0.66 NQO1 (0.47) ALDH1A1CYP3A4MAOBKDM4ESMN1; SMN2
SCHEMBL4454971 0.66 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9056199 0.66 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 US disclosed
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2021-11-04 US disclosed
US-10973913-B2 JAK inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2021-04-13 US disclosed
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-09-10 US disclosed
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP disclosed
WO-2017143014-A1 JAK INHIBITORS AND USES THEREOF KIM BRIAN (US) 2017-08-24 WO disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
WO-2008128981-A1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128983-A1 CYANO-GUANIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128987-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 WO disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 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 (8 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-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 ALDH1A1 1074/4885CYP3A4 3004/4885CYP2D6 3550/4885
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES GLS, GLS2, GLUL ALDH1A1 1467/4885CYP3A4 2962/4885CYP2D6 3089/4885
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL ALDH1A1 1395/4885CYP3A4 2214/4885CYP2D6 1479/4885
US-10973913-B2 JAK inhibitors and uses thereof JAK2, JAK1, JAK3 ALDH1A1 2806/4885CYP3A4 2865/4885CYP2D6 3043/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 ALDH1A1 1366/4885CYP3A4 3800/4885CYP2D6 4159/4885
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT ALDH1A1 1847/4885CYP3A4 2767/4885CYP2D6 2890/4885
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: MAPT, SLC10A1, REN ALDH1A1 547/4885CYP3A4 207/4885CYP2D6 431/4885
US-20200282051-A1 JAK INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 ALDH1A1 2806/4885CYP3A4 2865/4885CYP2D6 3043/4885

“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.