SCHEMBL4844178

SCHEMBL4844178

NC1=Nc2cc(F)c(F)cc2Nc2sc3ccccc3c21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL5244680 0.99 BACE1 (0.35) BACE1ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL5244672 0.97 BACE1 (0.34) BACE1ALDH1A1MAPTHPGDRAB9A
SCHEMBL4836633 0.86 MAPT (0.34) BACE1ALDH1A1MAPTHPGDRAB9A
SCHEMBL6994128 0.86 IDO1 (0.34) BACE1ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL4843411 0.85 IDO1 (0.33) BACE1ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL4843553 0.85 MAPT (0.34) BACE1ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL4843547 0.84 MAPT (0.35) BACE1ALDH1A1MAPTHPGDRAB9A
SCHEMBL14156629 0.82 LMNA (0.36) BACE1ALDH1A1MAPTHPGDRAB9A
SCHEMBL14156683 0.81 KIF11 (0.36) BACE1
Hydrochloric Acid SCHEMBL4836312 0.81 LMNA (0.35) BACE1ALDH1A1MAPTHPGDRAB9A

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 8 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
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-1016664-B1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-07-02 EP disclosed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 EP 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 BACE1 2580/4885ALDH1A1 215/4885MAPT 1793/4885

“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.