SCHEMBL9285015

SCHEMBL9285015

[C-]#[N+]c1c(CN(C)C)c(F)c(C)c(C(=O)Oc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
KMT2A Q03164 2/20 0.36
TSPO P30536 2/20 0.35
EGFR P00533 4/20 0.34
RAB9A P51151 4/20 0.33
ALOX5 P09917 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 1/20 0.33
STAT1 P42224 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL9279764 0.88 PTPN1 (0.40) PTPN1KMT2ATSPOEGFRRAB9A
SCHEMBL9286155 0.88 PTPN1 (0.42) PTPN1KMT2ATSPOEGFRRAB9A
SCHEMBL9279189 0.85 PTPN1 (0.38) PTPN1KMT2ATSPOEGFRRAB9A
SCHEMBL9279777 0.84 HRH3 (0.43) KMT2ARAB9ANPC1NPSR1SMN1; SMN2
SCHEMBL20370165 0.78 PTPN1 (0.42) PTPN1KMT2ARAB9ANPC1MAPT
SCHEMBL114746 0.78 PTPN1 (0.42) PTPN1KMT2ARAB9ANPC1MAPT
SCHEMBL20370139 0.78 PTPN1 (0.45) PTPN1KMT2ARAB9ANPC1LMNA
SCHEMBL9287110 0.78 EGFR (0.39) PTPN1KMT2AEGFRALOX5LMNA
SCHEMBL112843 0.77 PTPN1 (0.41) PTPN1KMT2ARAB9ANPC1MAPT
SCHEMBL17692799 0.77 PTPN1 (0.39) PTPN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US 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-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A PTPN1 402/4885KMT2A 2833/4885TSPO 3055/4885

“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.