SCHEMBL9977994

SCHEMBL9977994

O=C(c1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.87
KMT2A Q03164 3/20 0.87
SMN1; SMN2 Q16637 2/20 0.87
MAPK1 P28482 2/20 0.87
MAPT P10636 1/20 0.87
STAT3 P40763 1/20 0.87
CLK1 P49759 1/20 0.71
CCR5 P51681 1/20 0.69
ALDH1A1 P00352 1/20 0.68
IDE P14735 3/20 0.67

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
SCHEMBL9977996 0.93 MEN1 (0.83) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL9978124 0.93 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL19410590 0.92 MEN1 (0.74) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL19422869 0.92 MEN1 (0.81) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL9978123 0.89 MEN1 (0.87) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL19422870 0.89 MEN1 (0.87) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL9978126 0.88 MEN1 (0.74) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL9978122 0.86 SMN1; SMN2 (0.72) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL30061909 0.86 MAPK1 (0.75) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL17540869 0.84 MEN1 (0.76) MEN1KMT2ASMN1; SMN2MAPK1MAPT

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-20170281611-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES EIGER BIOPHARMACEUTICALS, INC. (US) 2017-10-05 US disclosed
WO-2016032569-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES CELLADON CORPORATION (US) 2016-03-03 WO disclosed
WO-2016032569-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES CELLADON CORPORATION (US) 2016-03-03 WO disclosed
US-9221840-B2 Treating protein folding disorders with small molecule CFTR correctors DISCOVERYBIOMED INC. (US) 2015-12-29 US disclosed
US-9221840-B2 Treating protein folding disorders with small molecule CFTR correctors DISCOVERYBIOMED INC. (US) 2015-12-29 US disclosed
US-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS THE UAB RESEARCH FOUNDATION (US) 2014-03-13 US disclosed
US-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS THE UAB RESEARCH FOUNDATION (US) 2014-03-13 US disclosed
WO-2012158913-A2 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED INC. (US) 2012-11-22 WO disclosed
WO-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 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-20170281611-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES ATP2A1, ATP2A3, ATP2A2 MEN1 4199/4885KMT2A 4359/4885SMN1; SMN2 698/4885
US-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC47A1 MEN1 4193/4885KMT2A 4502/4885SMN1; SMN2 1902/4885

“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.