SCHEMBL25335444

SCHEMBL25335444

C[C@H]1CCC(c2ccc3ccc(Br)cc3c2)=NC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ PTPN6 P29350 1/20 0.30
▸ CDC25A P30304 1/20 0.30

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
SCHEMBL25335450 1.00 NOS3 (0.34) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL25320632 0.84 MAOA (0.43) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL25320626 0.84 MAOA (0.43) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL31578497 0.84 MAOA (0.43) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL29324069 0.83 NOS3 (0.41) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL24233937 0.83 NOS3 (0.41) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL29324131 0.77 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL29081982 0.76 PRKCZ (0.38) CYP11B1CYP11B2
SCHEMBL30470736 0.76 PRKCZ (0.38) CYP11B1CYP11B2
SCHEMBL29081528 0.75 NOS3 (0.35) NOS3NOS1NOS2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171432-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-29 — — US disclosed
EP-4469447-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 — — EP disclosed
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — 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 (1 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-20250171432-A1 COMPOUNDS AND METHODS OF USE ABCG2, F12, CYP2C9 NOS3 855/4885NOS1 554/4885NOS2 893/4885

“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.

Send feedback