Sugi Predict

Sugi Predict / Compounds / SCHEMBL4844235

SCHEMBL4844235

SCHEMBL4844235

Cc1cc(C#N)c(Nc2cc(F)c(F)cc2[N+](=O)[O-])s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MERTK Q12866 1/20 0.36
▸ VCAM1 P19320 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.33
▸ MAPT P10636 7/20 0.33
▸ GRIA1 P42261 2/20 0.33
▸ GRIA2 P42262 2/20 0.33
▸ GRIA3 P42263 2/20 0.33
▸ GRIA4 P48058 2/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ POLB P06746 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
SCHEMBL4837038 0.85 ATM (0.39) HTTLMNARXFP1KMT2AMEN1
SCHEMBL15485425 0.81 KAT2B (0.46) HTTLMNAKMT2AMEN1L3MBTL1
SCHEMBL31690565 0.81 KAT2B (0.46) HTTLMNAKMT2AMEN1L3MBTL1
SCHEMBL725098 0.81 HTT (0.46) HTTLMNAKMT2AMEN1L3MBTL1
SCHEMBL29527221 0.81 HTT (0.46) HTTLMNAKMT2AMEN1L3MBTL1
SCHEMBL23682555 0.81 HTT (0.39) HTTLMNARXFP1KMT2AMEN1
SCHEMBL4844309 0.81 VCAM1 (0.53) HTTKMT2AMEN1L3MBTL1MERTK
SCHEMBL4842480 0.81 VCAM1 (0.50) HTTLMNAL3MBTL1MERTKVCAM1
SCHEMBL4839339 0.79 MAPT (0.48) HTTLMNARXFP1KMT2AMEN1
SCHEMBL4380157 0.75 MAPT (0.47) HTTLMNARXFP1KMT2AMEN1

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-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 — — US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 — — US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 — — US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 — — EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 — — US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 — — EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 — — 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 (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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 HTT 2206/4885LMNA 3401/4885RXFP1 830/4885

“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.