SCHEMBL23629417

SCHEMBL23629417

CCn1ncc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.42
HSPB1 P04792 4/20 0.42
S1PR4 O95977 1/20 0.41
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.39
MAPK14 Q16539 1/20 0.37
SERPINE1 P05121 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1H O95180 2/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BACE1 P56817 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL30444837 1.00 GLS (0.42) GLSHSPB1S1PR4RAB9ANPC1
SCHEMBL29487166 0.89 HSPB1 (0.44) GLSHSPB1S1PR4SERPINE1MAPT
SCHEMBL679255 0.89 HSPB1 (0.44) GLSHSPB1S1PR4SERPINE1MAPT
SCHEMBL30445099 0.84 HSPB1 (0.42) GLSHSPB1S1PR4LMNAMAPK14
SCHEMBL23629534 0.84 HSPB1 (0.42) GLSHSPB1S1PR4LMNAMAPK14
SCHEMBL679462 0.76 RXRA (0.39) GLSHSPB1S1PR4RAB9ANPC1
SCHEMBL679110 0.76 SERPINE1 (0.43) GLSHSPB1S1PR4MAPK14SERPINE1
SCHEMBL5347812 0.75 GLS (0.70) GLSRAB9ANPC1LMNAMAPT
SCHEMBL20770037 0.75 GLS (0.55) GLSRAB9ANPC1LMNAMAPT
SCHEMBL680857 0.74 MAPT (0.55) HSPB1S1PR4RAB9ANPC1LMNA

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 GLS 2436/4885HSPB1 940/4885S1PR4 3268/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK GLS 2436/4885HSPB1 940/4885S1PR4 3268/4885

“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.