SCHEMBL4036816

SCHEMBL4036816

Cc1cccc(C(C)C)c1NC(N)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
NLRP3 Q96P20 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
SOAT1 P35610 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL18550678 0.89 SOAT1 (0.53) NLRP3KMT2AMEN1SOAT1LMNA
SCHEMBL30013805 0.86 MAPK1 (0.54) MAPK1NLRP3KMT2AMEN1SOAT1
SCHEMBL25216986 0.84 LMNA (0.54) MAPK1NLRP3KMT2AMEN1SOAT1
SCHEMBL5222474 0.83 GRIN2D (0.55) KMT2AL3MBTL1MAPTLMNACYP1A2
SCHEMBL29383617 0.83 MAPK1 (0.58) MAPK1NLRP3KMT2AMEN1L3MBTL1
SCHEMBL5520212 0.83 MAPK1 (0.58) MAPK1NLRP3KMT2AMEN1L3MBTL1
SCHEMBL14576285 0.81 CXCL8 (0.46) KMT2ASOAT1LMNASMN1; SMN2CYP1A2
SCHEMBL25193912 0.81 LMNA (0.54) MAPK1NLRP3KMT2AMEN1SOAT1
SCHEMBL5538230 0.79 HTT (0.50) MAPK1NLRP3KMT2AMEN1SOAT1
SCHEMBL11663889 0.78 MAPK1 (0.47) MAPK1NLRP3KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167270-A1 ACRYLIC RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT ZEON CORPORATION (JP) 2023-06-01 US disclosed
CN-115244127-A Acrylic rubber composition and rubber crosslinked product 日本瑞翁株式会社 2022-10-25 CN disclosed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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 (2 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPK1 1202/4885NLRP3 3098/4885KMT2A 792/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MAPK1 2507/4885NLRP3 1501/4885KMT2A 693/4885

“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.