SCHEMBL680402

SCHEMBL680402

O=Cc1cc(Oc2ccc([N+](=O)[O-])cc2F)c(Br)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.50
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TTR P02766 1/20 0.41
EPAS1 Q99814 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKDC P78527 1/20 0.38
HIF1A Q16665 1/20 0.38
TBXA2R P21731 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL27817108 0.84 HSPB1 (0.54) HSPB1ERN1ALDH1A1MAPTMAPK1
SCHEMBL680258 0.83 HSPB1 (0.44) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL680257 0.83 HSPB1 (0.44) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL23629494 0.80 HSPB1 (0.41) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL23081424 0.78 HSPB1 (0.44) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL29533051 0.77 HSPB1 (0.72) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL15067682 0.77 HSPB1 (0.72) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL20154998 0.75 HSPB1 (0.53) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL29845685 0.75 HSPB1 (0.53) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL16340463 0.74 HSPB1 (0.67) HSPB1ALDH1A1MAPTMAPK1L3MBTL1

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 11 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
US-RE43878-E1 Amidophenoxyindazoles useful as inhibitors of c-Met ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
EP-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed
US-8030302-B2 Amidophenoxyindazoles useful as inhibitors of c-Met ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2310382-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET Eli Lilly & Company (US) 2011-04-20 EP disclosed
WO-2010011538-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY (US) 2010-01-28 WO disclosed
US-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY 2010-01-28 US 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-11952364-B2 TRK inhibitors useful as anticancer drugs NTRK1, NTRK3, MUSK HSPB1 940/4885ERN1 448/4885ALDH1A1 3791/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK HSPB1 940/4885ERN1 448/4885ALDH1A1 3791/4885
US-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET MET, MYCBP, MYC HSPB1 1726/4885ERN1 2134/4885ALDH1A1 1450/4885

“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.