SCHEMBL8522780

SCHEMBL8522780

CN[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 4/20 0.42
GAA P10253 1/20 0.42
CCR3 P51677 4/20 0.41
MAPK1 P28482 1/20 0.41
APP P05067 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL8556924 0.89 PTPRB (0.46) PTPRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23303560 0.86 PTPRB (0.46) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL8587434 0.86 PTPRB (0.46) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL684358 0.85 MAPT (0.48) PTPRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL500260 0.83 PTPRB (0.69) PTPRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL500261 0.83 PTPRB (0.69) PTPRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL684367 0.82 MAPT (0.48) PTPRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8769233 0.82 MAPT (0.48) PTPRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19894165 0.82 PTPRB (0.44) PTPRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3606140 0.81 PTPRB (0.58) PTPRBMEN1KMT2ACCR3

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-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
WO-2008002571-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PTPRB 1445/4885MEN1 969/4885KMT2A 4229/4885

“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.