Sugi Predict

Sugi Predict / Compounds / SCHEMBL2911944

SCHEMBL2911944

SCHEMBL2911944

O=C1c2ccccc2C(=O)N1CCCc1[nH]cc(-c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ACHE P22303 4/20 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
SCHEMBL2913045 0.83 MAPT (0.54) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL2911529 0.74 MAPT (0.45) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL2911945 0.74 HSD11B1 (0.47) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL2913050 0.66 MEN1 (0.43) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL25422397 0.66 MAPT (0.53) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL5100045 0.66 MAPT (0.47) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL5422820 0.65 TDP1 (0.66) TDP1KMT2ATSHR
SCHEMBL5043344 0.65 CA12 (0.55) MAPTMEN1KMT2AALDH1A1ACHE
SCHEMBL7529248 0.64 RAB9A (0.56) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL6081876 0.64 TSHR (0.44) MEN1KMT2AALDH1A1MAPK1HSD11B1

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
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 — — EP disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 — — US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 — — US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 — — US disclosed
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 — — EP disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 — — US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 — — 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 (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-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 156/4885TDP1 339/4885MEN1 2637/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB MAPT 156/4885TDP1 339/4885MEN1 2637/4885

“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.