SCHEMBL7900681

SCHEMBL7900681

CC(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.80
KMT2A Q03164 10/20 0.80
NOD1 Q9Y239 4/20 0.80
TNF P01375 3/20 0.80
GRIN2C Q14957 2/20 0.74
RAB9A P51151 6/20 0.74
NPC1 O15118 6/20 0.73
ALDH1A1 P00352 1/20 0.73
GLO1 Q04760 1/20 0.73
MAPT P10636 5/20 0.71
POLB P06746 2/20 0.71
LMNA P02545 1/20 0.71
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ESR2 Q92731 1/20 0.71
CTDSP1 Q9GZU7 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
KDM4E B2RXH2 1/20 0.71
MITF O75030 1/20 0.71
KLF5 Q13887 1/20 0.71

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
SCHEMBL918590 0.86 MEN1 (0.79) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL3916274 0.86 KMT2A (0.97) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL7894757 0.85 GRIN2C (1.00) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL919352 0.85 MEN1 (1.00) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL23413350 0.84 GLO1 (1.00) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL7903456 0.84 MAPT (0.79) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL21247366 0.83 RAB9A (1.00) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL7902040 0.83 GRIN2C (0.78) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL7894754 0.83 MEN1 (1.00) MEN1KMT2ANOD1TNFGRIN2C
SCHEMBL25198836 0.80 MEN1 (0.74) MEN1KMT2ANOD1TNFGRIN2C

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 MEN1 4250/4885KMT2A 2345/4885NOD1 890/4885
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B MEN1 4250/4885KMT2A 2345/4885NOD1 890/4885
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH MEN1 3538/4885KMT2A 3454/4885NOD1 410/4885
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS GRIN1, GRIN2A, GRIN2B MEN1 4250/4885KMT2A 2345/4885NOD1 890/4885

“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.