SCHEMBL4836633

SCHEMBL4836633

NC1=Nc2ccc(F)cc2Nc2sc3ccccc3c21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
IDO1 P14902 1/20 0.34
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR5A P47898 2/20 0.31
AXL P30530 1/20 0.30
GFER P55789 1/20 0.30

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 SCHEMBL4843553 0.99 MAPT (0.34) MAPTIDO1BACE1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4843547 0.98 MAPT (0.35) MAPTIDO1BACE1ALDH1A1HPGD
SCHEMBL6994128 0.90 IDO1 (0.34) MAPTIDO1BACE1ALDH1A1HPGD
SCHEMBL6996940 0.90 AXL (0.34) MAPTALDH1A1HTR5AAXLGFER
Hydrochloric Acid SCHEMBL4843411 0.89 IDO1 (0.33) MAPTIDO1BACE1ALDH1A1HPGD
SCHEMBL4844178 0.86 BACE1 (0.35) MAPTBACE1ALDH1A1HPGDRAB9A
SCHEMBL6998543 0.85 BACE1 (0.35) MAPTBACE1ALDH1A1SMN1; SMN2HTR5A
Hydrochloric Acid SCHEMBL5244680 0.85 BACE1 (0.35) MAPTBACE1ALDH1A1HPGDRAB9A
SCHEMBL14156629 0.84 LMNA (0.36) MAPTBACE1ALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL5244672 0.84 BACE1 (0.34) MAPTBACE1ALDH1A1HPGDRAB9A

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 14 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-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 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
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 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 (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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 MAPT 2103/4885IDO1 2399/4885BACE1 2773/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 MAPT 1793/4885IDO1 1590/4885BACE1 2580/4885

“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.