SCHEMBL9977988

SCHEMBL9977988

O=C(C1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 1.00
IDE P14735 3/20 0.94
ALDH1A1 P00352 1/20 0.91
CLK1 P49759 1/20 0.68
CCR5 P51681 1/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAPT P10636 1/20 0.65
STAT3 P40763 1/20 0.65
CHKA P35790 1/20 0.64
PKM P14618 1/20 0.62
ALOX15 P16050 1/20 0.62
CASP1 P29466 1/20 0.62
HSD17B10 Q99714 1/20 0.62
DPP4 P27487 1/20 0.61

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
SCHEMBL30060845 0.96 MAPK1 (0.92) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL19422873 0.95 ALDH1A1 (1.00) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL23362082 0.88 IDE (0.79) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL31734050 0.88 IDE (0.79) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL30060839 0.87 MAPK1 (0.77) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL30061909 0.86 MAPK1 (0.75) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL23362126 0.86 MAPK1 (0.74) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL30058852 0.85 MAPK1 (0.73) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL5639851 0.85 MAPK1 (0.74) MAPK1IDEALDH1A1CLK1CCR5
SCHEMBL5639580 0.85 MAPK1 (0.74) MAPK1IDEALDH1A1CLK1CCR5

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-9925251-B2 Treatments for Mycobacterium tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 US disclosed
US-9925251-B2 Treatments for Mycobacterium tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 US disclosed
US-9925251-B2 Treatments for Mycobacterium tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 US disclosed
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 US disclosed
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 US disclosed
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 US disclosed
WO-2013059622-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-04-25 WO disclosed
WO-2013059622-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-04-25 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 (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-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS CLPP, LONP1, CLPX MAPK1 2793/4885IDE 530/4885ALDH1A1 2389/4885

“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.