SCHEMBL122370

SCHEMBL122370

OCCCN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HTR3A P46098 1/20 0.39
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHEK2 O96017 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 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
SCHEMBL10298183 0.94 ALDH1A1 (0.39) ALDH1A1HTR3AGRIN1GRIN2BPOLB
SCHEMBL11093573 0.89 HTR3A (0.43) ALDH1A1HTR3AGRIN1GRIN2BSMN1; SMN2
SCHEMBL10298173 0.86 ALDH1A1 (0.41) ALDH1A1GRIN1GRIN2BPOLBSMN1; SMN2
SCHEMBL12693602 0.81 PTGS2 (0.46) ALDH1A1HTR3AATMCES1
SCHEMBL12075964 0.79 ALDH1A1 (0.41) ALDH1A1HTR3AGRIN1GRIN2BPOLB
SCHEMBL30762090 0.78 CES2 (0.47) ATMMEN1CES1KMT2A
SCHEMBL10298177 0.76 ALDH1A1 (0.39) ALDH1A1GRIN1GRIN2BPOLBSMN1; SMN2
SCHEMBL2758662 0.76 ATM (0.45) ALDH1A1GRIN1GRIN2BSMN1; SMN2RAB9A
SCHEMBL10298196 0.75 ALDH1A1 (0.42) ALDH1A1HTR3AGRIN1GRIN2BPOLB
SCHEMBL10298182 0.75 KMT2A (0.40) ALDH1A1GRIN1GRIN2BSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173303-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE HOLDINGS CORPORATION 2024-05-30 US disclosed
EP-2911669-B1 SYNERGISTIC COMBINATION OF IMMUNOLOGIC INHIBITORS FOR THE TREATMENT OF CANCER UNIV CHICAGO (US) 2024-04-10 EP disclosed
US-20220331296-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE CORPORATION 2022-10-20 US disclosed
US-11207302-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2021-12-28 US disclosed
US-11207302-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2021-12-28 US disclosed
US-20210228715-A1 SYNERGISTIC COMBINATION OF IMMUNOLOGIC INHIBITORS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF CHICAGO (US) 2021-07-29 US disclosed
US-10967060-B2 Synergistic combination of immunologic inhibitors for the treatment of cancer THE UNIVERSITY OF CHICAGO (US) 2021-04-06 US disclosed
US-20210030722-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE CORPORATION 2021-02-04 US disclosed
US-20210030722-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase INCYTE CORPORATION 2021-02-04 US disclosed
US-10653677-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE HOLDINGS CORPORATION (US) 2020-05-19 US disclosed
US-8088803-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2012-01-03 US disclosed
US-8088803-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2012-01-03 US disclosed
EP-2315756-A2 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2011-05-04 EP disclosed
US-20100015178-A1 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION 2010-01-21 US disclosed
US-20100015178-A1 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION 2010-01-21 US disclosed
US-20100015178-A1 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION 2010-01-21 US disclosed
WO-2010005958-A2 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2010-01-14 WO disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 US disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 US disclosed
WO-2007127440-A2 HETEROFUNCTIONAL POLY(ETHYLENE GLYCOL) CONTAINING ACID-LABILE AMINO PROTECTING GROUPS AND USES THEREOF INTEZYNE TECHNOLOGIES, INC. (US) 2007-11-08 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 (9 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-20210030722-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT ALDH1A1 157/4885HTR3A 19/4885GRIN1 1225/4885
US-20240173303-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT ALDH1A1 157/4885HTR3A 19/4885GRIN1 1225/4885
US-11207302-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT ALDH1A1 157/4885HTR3A 19/4885GRIN1 1225/4885
US-10653677-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT ALDH1A1 157/4885HTR3A 19/4885GRIN1 1225/4885
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof LNPEP, GNE, DNPEP ALDH1A1 2599/4885HTR3A 4361/4885GRIN1 2090/4885
US-20100015178-A1 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 157/4885HTR3A 19/4885GRIN1 1225/4885
US-20210228715-A1 SYNERGISTIC COMBINATION OF IMMUNOLOGIC INHIBITORS FOR THE TREATMENT OF CANCER ICOS, CD274, IDO1 ALDH1A1 393/4885HTR3A 495/4885GRIN1 3622/4885
US-20220331296-A1 1,2,5-Oxadiazoles As Inhibitors Of Indoleamine 2,3- Dioxygenase IDO1, IDO2, INMT ALDH1A1 157/4885HTR3A 19/4885GRIN1 1225/4885
US-10967060-B2 Synergistic combination of immunologic inhibitors for the treatment of cancer ICOS, IDO1, IL2 ALDH1A1 351/4885HTR3A 500/4885GRIN1 4392/4885

“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.