SCHEMBL25286239

SCHEMBL25286239

Cn1cnc2c(-c3ccc(OC(F)(F)F)cc3)cc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ PSD A5PKW4 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ TEAD1 P28347 3/20 0.40
▸ TEAD4 Q15561 3/20 0.40
▸ TEAD2 Q15562 3/20 0.40
▸ TEAD3 Q99594 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL31135880 1.00 ALDH1A1 (0.44) ALDH1A1PSDTLR2TLR1TEAD1
SCHEMBL23579863 0.82 DPP4 (0.45) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL25749393 0.81 TEAD1 (0.41) TEAD1TEAD4TEAD2TEAD3MAPT
SCHEMBL25289146 0.80 TEAD1 (0.41) TEAD1TEAD4TEAD2TEAD3MAPT
SCHEMBL30377129 0.80 TEAD1 (0.41) TEAD1TEAD4TEAD2TEAD3MAPT
SCHEMBL25293802 0.80 TEAD1 (0.43) TEAD1TEAD4TEAD2TEAD3KDM5A
SCHEMBL30377004 0.78 KDM5A (0.53) TEAD1TEAD4TEAD2TEAD3GAA
SCHEMBL25247701 0.78 KDM5A (0.53) TEAD1TEAD4TEAD2TEAD3GAA
SCHEMBL30376793 0.77 TEAD1 (0.48) TEAD1TEAD4TEAD2TEAD3KDM5A
SCHEMBL25251475 0.77 TEAD1 (0.48) TEAD1TEAD4TEAD2TEAD3KDM5A

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-20250171464-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2025-05-29 — — US disclosed
US-12275745-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2025-04-15 — — US disclosed
EP-4436969-A2 BICYCLIC THERAPEUTIC COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-10-02 — — EP disclosed
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — US disclosed
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — US disclosed
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — US disclosed
WO-2023097194-A2 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-01 — — 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 (3 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-20250171464-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 ALDH1A1 829/4885PSD 4054/4885TLR2 4315/4885
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 ALDH1A1 829/4885PSD 4054/4885TLR2 4315/4885
US-12275745-B2 Therapeutic compounds and methods of use VHL, TP53, MCL1 ALDH1A1 829/4885PSD 4054/4885TLR2 4315/4885

“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.

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