SCHEMBL23629534

SCHEMBL23629534

CC(C)n1ncc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.42
S1PR4 O95977 1/20 0.39
GLS O94925 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BACE1 P56817 1/20 0.34
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX3 P56373 1/20 0.32
KDR P35968 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL30445099 1.00 HSPB1 (0.42) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL679255 0.86 HSPB1 (0.44) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL29487166 0.86 HSPB1 (0.44) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL23629417 0.84 GLS (0.42) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL30444837 0.84 GLS (0.42) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL30444848 0.82 ABCB1 (0.35) MAPK14HTR2AHTR2C
SCHEMBL23629515 0.82 ABCB1 (0.35) MAPK14HTR2AHTR2C
SCHEMBL679462 0.78 RXRA (0.39) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL31510404 0.75 GLS (0.45) GLSMAPTALDH1A1HTTTDP1
SCHEMBL31304574 0.75 GLS (0.55) GLSMAPTL3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952364-B2 TRK inhibitors useful as anticancer drugs TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2024-04-09 US disclosed
CN-112739691-B TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2023-05-23 CN disclosed
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2022-12-08 US disclosed
EP-3848365-A1 TRK INHIBITOR AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2021-07-14 EP disclosed
CN-112739691-A TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2021-04-30 CN 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-11952364-B2 TRK inhibitors useful as anticancer drugs NTRK1, NTRK3, MUSK HSPB1 940/4885S1PR4 3268/4885GLS 2436/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK HSPB1 940/4885S1PR4 3268/4885GLS 2436/4885

“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.