SCHEMBL7903664

SCHEMBL7903664

CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 9/20 1.00
▸ MAPT P10636 9/20 1.00
▸ NPSR1 Q6W5P4 6/20 1.00
▸ LMNA P02545 4/20 1.00
▸ KDM4E B2RXH2 6/20 0.82
▸ TSHR P16473 4/20 0.82
▸ POLB P06746 3/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.82
▸ L3MBTL1 Q9Y468 2/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ HTT P42858 1/20 0.82
▸ RECQL P46063 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ MCL1 Q07820 1/20 0.82
▸ ESR2 Q92731 1/20 0.82
▸ PDE4D Q08499 3/20 0.74
▸ HPGD P15428 6/20 0.73
▸ MAPK1 P28482 3/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ CASP1 P29466 1/20 0.70

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
SCHEMBL3989330 0.90 MAPT (0.81) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL1038897 0.85 PDE4D (1.00) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL7901380 0.85 LMNA (0.78) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL11381277 0.82 ALDH1A1 (0.80) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL7900419 0.81 PDE4D (0.77) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL8288716 0.80 ALDH1A1 (0.98) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL34468526 0.80 ALDH1A1 (1.00) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL34468571 0.80 CNR2 (0.73) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL3912842 0.80 HSD17B10 (0.65) HSD17B10MAPTNPSR1LMNAKDM4E
SCHEMBL11368712 0.80 ALDH1A1 (0.80) HSD17B10MAPTNPSR1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 — — US disclosed
US-10273214-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2019-04-30 — — US disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 — — US disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 — — US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 — — US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 — — US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 — — US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 — — US disclosed
WO-2010088414-A2 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 — — 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 (4 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-10273214-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions GRIN1, GRIN2A, GRIN2B HSD17B10 3693/4885MAPT 768/4885NPSR1 67/4885
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B HSD17B10 3693/4885MAPT 768/4885NPSR1 67/4885
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH HSD17B10 743/4885MAPT 2107/4885NPSR1 4182/4885
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS GRIN1, GRIN2A, GRIN2B HSD17B10 3693/4885MAPT 768/4885NPSR1 67/4885

“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.

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