SCHEMBL18179875

SCHEMBL18179875

c1cc(N2CCOCC2)ccc1CNCCNCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
GAA P10253 3/20 0.58
NPC1 O15118 3/20 0.58
MAPT P10636 7/20 0.54
KDM4E B2RXH2 5/20 0.54
ALOX12 P18054 3/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 6/20 0.54
ALOX15 P16050 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL24641663 0.86 MAPT (0.57) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL18179874 0.85 NCF1 (0.51) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL18179876 0.83 NCF1 (0.50) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL17832859 0.83 NCF1 (0.50) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL18358966 0.81 RAB9A (0.58) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL631523 0.81 RAB9A (0.62) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL18539238 0.81 RAB9A (0.58) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL27642818 0.81 MAPT (0.58) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL3304463 0.81 L3MBTL1 (0.54) RAB9AL3MBTL1GAANPC1MAPT
SCHEMBL16812995 0.78 CXCR4 (0.49) L3MBTL1GAAMAPTKDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-9849098-B2 Compositions and methods for treating respiratory injury or disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-26 US disclosed
US-9849098-B2 Compositions and methods for treating respiratory injury or disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-26 US disclosed
US-20160310447-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-10-27 US disclosed
US-20160310447-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-10-27 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 (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-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, C1S RAB9A 524/4885L3MBTL1 210/4885GAA 2497/4885
US-20160310447-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1S, C9 RAB9A 623/4885L3MBTL1 324/4885GAA 2224/4885

“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.