SCHEMBL6446989

SCHEMBL6446989

[CH2]c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 9/20 0.64
GABRD O14764 9/20 0.64
GABRA1 P14867 9/20 0.64
GABRB1 P18505 9/20 0.64
GABRG2 P18507 9/20 0.64
GABRB3 P28472 9/20 0.64
GABRA5 P31644 9/20 0.64
GABRA3 P34903 9/20 0.64
GABRA2 P47869 9/20 0.64
GABRB2 P47870 9/20 0.64
GABRA4 P48169 9/20 0.64
GABRE P78334 9/20 0.64
GABRA6 Q16445 9/20 0.64
GABRG1 Q8N1C3 9/20 0.64
GABRG3 Q99928 9/20 0.64
GABRQ Q9UN88 9/20 0.64
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.57
AHR P35869 1/20 0.55
IDO1 P14902 1/20 0.54

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
SCHEMBL12938276 0.81 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28643704 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10642293 0.78 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3333771 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1984445 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10644440 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1982871 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6447688 0.77 GABRP (0.73) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28147848 0.77 ALDH1A1 (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10647099 0.75 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652283-A Compound for the treatment of metabolic syndrome SJT分子研究有限公司 2018-02-02 CN disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 GABRP 1807/4885GABRD 1822/4885GABRA1 1925/4885

“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.