SCHEMBL20526993

SCHEMBL20526993

Cc1ccc(N)c(Cc2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
IDH1 O75874 1/20 0.40
CD44 P16070 1/20 0.39
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NQO1 P15559 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL27858491 0.88 IDH1 (0.46) CALM1IDH1CD44CYP3A4TSHR
SCHEMBL5426526 0.86 IDH1 (0.45) CALM1IDH1CYP3A4TSHRALDH1A1
SCHEMBL23295626 0.85 IDH1 (0.44) CALM1IDH1CD44CYP3A4TSHR
SCHEMBL10702996 0.85 CYP3A4 (0.48) CD44CYP3A4TSHRNPC1ALDH1A1
SCHEMBL3165405 0.85 CALM1 (0.41) CALM1IDH1CYP3A4TSHRALDH1A1
Bromide SCHEMBL8174311 0.83 CALM1 (0.39) CALM1IDH1CYP3A4TSHRALDH1A1
Hydrochloric Acid SCHEMBL3291591 0.83 CALM1 (0.39) CALM1IDH1CYP3A4ALDH1A1TLR8
SCHEMBL28954242 0.81 SLC2A1 (0.38) ALDH1A1
SCHEMBL1498780 0.81 CALM1 (0.55) CALM1ALDH1A1SMN1; SMN2POLB
SCHEMBL10394797 0.81 IDH1 (0.44) CALM1IDH1CYP3A4TSHRALDH1A1

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-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 US disclosed
CN-108430994-A Compound, composition and method for adjusting CFTR 蛋白质平衡治疗股份有限公司 2018-08-21 CN 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 (5 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CALM1 3854/4885IDH1 2054/4885CD44 3369/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CALM1 3854/4885IDH1 2054/4885CD44 3369/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CALM1 3854/4885IDH1 2054/4885CD44 3369/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CALM1 3854/4885IDH1 2054/4885CD44 3369/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CALM1 3854/4885IDH1 2054/4885CD44 3369/4885

“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.