SCHEMBL17079457

SCHEMBL17079457

Cc1nnc(CCCN)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
HRH2 P25021 4/20 0.41
HRH1 P35367 3/20 0.41
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLS O94925 2/20 0.32
TSHR P16473 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
SCHEMBL11509916 0.94 ALDH1A1 (0.47) ALDH1A1POLBHRH2HRH1HRH4
SCHEMBL11507329 0.92 ALDH1A1 (0.50) ALDH1A1POLBHRH2HRH1HRH4
SCHEMBL17328525 0.86
Hydrochloric Acid SCHEMBL17080199 0.84 SMN1; SMN2 (0.37) ALDH1A1POLBHRH2HRH1HRH4
SCHEMBL13419534 0.82 ALDH1A1 (0.53) ALDH1A1POLBHRH2HRH1HRH4
SCHEMBL9346540 0.78 ALDH1A1 (0.60) ALDH1A1POLBHRH2HRH1HRH4
SCHEMBL13398310 0.78 SMN1; SMN2 (0.40) ALDH1A1POLBHRH2HRH1HRH4
SCHEMBL15727725 0.78 POLB (0.77) ALDH1A1POLBSMN1; SMN2GLSTSHR
SCHEMBL11422899 0.77 ALDH1A1 (0.63) ALDH1A1POLBHRH2HRH1HRH4
SCHEMBL21276016 0.77 ALDH1A1 (0.63) ALDH1A1POLBHRH2HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790219-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-9790219-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-9790219-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
EP-3116501-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-01-18 EP disclosed
US-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-01-05 US disclosed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 WO disclosed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 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-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, KEAP1 ALDH1A1 3095/4885POLB 1649/4885HRH2 1098/4885

“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.