SCHEMBL20304534

SCHEMBL20304534

CC(C)(C)c1ccc(C(N)=C(C#N)C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HDAC1 Q13547 1/20 0.42
KIF11 P52732 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 2/20 0.40

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
SCHEMBL20304778 0.77 POLB (0.47) POLBMEN1MAPTKMT2ANPC1
SCHEMBL26070738 0.77 KIF11 (0.45) HDAC1KIF11MEN1MAPTKMT2A
SCHEMBL20304721 0.76 RARB (0.46) POLBHDAC1KIF11RARBRARG
SCHEMBL18956061 0.75 POLB (0.48) POLBSLC22A2SLC22A1SLC22A3LMNA
SCHEMBL14698778 0.75 POLB (0.48) POLBSLC22A2SLC22A1SLC22A3LMNA
SCHEMBL9656417 0.74 POLB (0.62) POLBLMNAMEN1MAPTKMT2A
SCHEMBL10891997 0.73 HDAC1 (0.53) POLBHDAC1KIF11RARBRARG
SCHEMBL22969892 0.73 HDAC1 (0.44) POLBHDAC1KIF11RARBRARG
SCHEMBL11077135 0.73 RECQL (0.59) HDAC1KIF11SLC22A2SLC22A1SLC22A3
SCHEMBL11077132 0.73 RECQL (0.59) HDAC1KIF11SLC22A2SLC22A1SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358929-B2 NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2025-07-15 US disclosed
US-20240294546-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2024-09-05 US disclosed
EP-3558318-B1 NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-12-20 EP disclosed
US-11807650-B2 NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2023-11-07 US disclosed
US-11807650-B2 NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2023-11-07 US disclosed
US-11807650-B2 NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2023-11-07 US disclosed
US-20220153755-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2022-05-19 US disclosed
US-20220153755-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2022-05-19 US disclosed
US-11274107-B2 NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-03-15 US disclosed
US-11274107-B2 NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-03-15 US disclosed
US-20200087323-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2020-03-19 US disclosed
EP-3558318-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF Cadent Therapeutics, Inc. (US) 2019-10-30 EP disclosed
WO-2018119374-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS (US) 2018-06-28 WO disclosed
WO-2018119374-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS (US) 2018-06-28 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 (6 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-11807650-B2 NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C POLB 3665/4885HDAC1 241/4885KIF11 4399/4885
US-11274107-B2 NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C POLB 3665/4885HDAC1 241/4885KIF11 4399/4885
US-20240294546-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C POLB 3665/4885HDAC1 241/4885KIF11 4399/4885
US-12358929-B2 NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C POLB 3665/4885HDAC1 241/4885KIF11 4399/4885
US-20200087323-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C POLB 3665/4885HDAC1 241/4885KIF11 4399/4885
US-20220153755-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C POLB 3665/4885HDAC1 241/4885KIF11 4399/4885

“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.