Sugi Predict

Sugi Predict / Compounds / SCHEMBL13949

SCHEMBL13949

SCHEMBL13949

Cc1cc(SC(F)(F)F)ccc1CCCCN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPRZ1 P23471 1/20 0.33
▸ MPO P05164 3/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 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
SCHEMBL14236 0.82 KDM4E (0.35) SMN1; SMN2KDM4EALDH1A1TDP1HTR2A
SCHEMBL13782 0.78 DAO (0.48) MPOTAAR1
SCHEMBL13699 0.75 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1TDP1HTR2A
SCHEMBL8910791 0.73 TAAR1 (0.52) HTR2ATAAR1
SCHEMBL14853480 0.73 SLC7A5 (0.41) ALDH1A1FFAR1FFAR4KCNH2
SCHEMBL11329915 0.72 TAAR1 (0.50) HTR2AMPOTAAR1
SCHEMBL11325501 0.72 TAAR1 (0.50) HTR2AMPOTAAR1
SCHEMBL11329871 0.72 TAAR1 (0.50) HTR2AMPOTAAR1
SCHEMBL11337231 0.72 TAAR1 (0.50) HTR2AMPOTAAR1
SCHEMBL11331960 0.72 TAAR1 (0.50) HTR2AMPOTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — 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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT SMN1; SMN2 3979/4885KDM4E 4344/4885ALDH1A1 1117/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SMN1; SMN2 3979/4885KDM4E 4344/4885ALDH1A1 1117/4885

“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.