Sugi Predict

Sugi Predict / Compounds / SCHEMBL680857

SCHEMBL680857

SCHEMBL680857

Cn1cc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(Br)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.55
▸ HSPB1 P04792 5/20 0.46
▸ S1PR4 O95977 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL679255 0.78 HSPB1 (0.44) MAPTHSPB1S1PR4ALDH1A1POLB
SCHEMBL29487166 0.78 HSPB1 (0.44) MAPTHSPB1S1PR4ALDH1A1POLB
SCHEMBL31132318 0.78 HSPB1 (0.53) MAPTHSPB1S1PR4ALDH1A1POLB
SCHEMBL680388 0.77 HSPB1 (0.36) MAPTHSPB1S1PR4ALDH1A1NPC1
SCHEMBL23629417 0.74 GLS (0.42) MAPTHSPB1S1PR4ALDH1A1NPC1
SCHEMBL30444837 0.74 GLS (0.42) MAPTHSPB1S1PR4ALDH1A1NPC1
SCHEMBL30445099 0.74 HSPB1 (0.42) MAPTHSPB1S1PR4ALDH1A1MEN1
SCHEMBL23629534 0.74 HSPB1 (0.42) MAPTHSPB1S1PR4ALDH1A1MEN1
SCHEMBL680304 0.73 MAPT (0.53) MAPTHSPB1S1PR4ALDH1A1POLB
SCHEMBL2103993 0.73 MAPT (1.00) MAPTALDH1A1POLBMEN1KMT2A

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-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
CN-102105462-A Amidophenoxyindazoles useful as inhibitors of C-MET LILLY CO ELI 2011-06-22 — — CN 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 (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-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET MET, MYCBP, MYC MAPT 4502/4885HSPB1 1726/4885S1PR4 4182/4885

“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.