SCHEMBL933581

SCHEMBL933581

CC(C)c1ccc(N)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
NOS1 P29475 2/20 0.40
CHRNA7 P36544 2/20 0.38
BCAT2 O15382 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5951002 0.84 CHRNA7 (0.37) NOS3NOS2NOS1CHRNA7
SCHEMBL3662212 0.76 ALOX5AP (0.44) CHRNA7TLR9TLR8TLR7
SCHEMBL20587717 0.75 BCAT2 (0.33) BCAT2
SCHEMBL30621944 0.75 BCAT2 (0.33) BCAT2
SCHEMBL1255843 0.74
SCHEMBL31490392 0.74
SCHEMBL2738305 0.72 APLNR (0.38) NOS3NOS2NOS1CHRNA7RAB9A
SCHEMBL17184739 0.70 KEAP1 (0.40) CHRNA7TLR9TLR8TLR7KDM4E
SCHEMBL18907030 0.70 CHRNA7 (0.32) CHRNA7
SCHEMBL21928710 0.70 CHRNA7 (0.32) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
US-20240360120-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2024-10-31 US disclosed
EP-3938358-B1 RAD51 INHIBITORS CYTEIR THERAPEUTICS INC (US) 2024-10-02 EP disclosed
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
CN-114072390-B RAD51 inhibitors 赛泰尔治疗公司 2024-06-11 CN disclosed
US-11932636-B2 RAD51 inhibitors CYTEIR THERAPEUTICS, INC. (US) 2024-03-19 US disclosed
WO-2023216237-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2023-11-16 WO disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-18 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same TANAKA YASUSHI 2010-06-24 US disclosed
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same TANAKA YASUSHI 2010-06-24 US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
EP-1466527-B1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
CN-100349517-C Fused heterocyclic sulfonylurea compound, herbicide containing the same and method of controlling weed with the same SUMITOMO CHEM TAKEDA AGRO CO (JP) 2007-11-21 CN disclosed
CN-1617666-A Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weeds using the same SUMITOMO CHEM TAKEDA AGRO CO (JP) 2005-05-18 CN disclosed
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-10 US disclosed
EP-1466527-A1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-10-13 EP 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 (8 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-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS STAT5A, STAT5B, STAT3 NOS3 3085/4885NOS2 3496/4885NOS1 3464/4885
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same NOTUM, WEE1, DDT NOS3 1955/4885NOS2 2417/4885NOS1 2427/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 NOS3 179/4885NOS2 192/4885NOS1 117/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT NOS3 2008/4885NOS2 2508/4885NOS1 2544/4885
US-20240360120-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L NOS3 4221/4885NOS2 3910/4885NOS1 3459/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 NOS3 339/4885NOS2 529/4885NOS1 291/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV NOS3 2342/4885NOS2 3256/4885NOS1 3945/4885
US-11932636-B2 RAD51 inhibitors RAD51, MRE11, RAD54L NOS3 4221/4885NOS2 3910/4885NOS1 3459/4885

“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.