SCHEMBL18179874

SCHEMBL18179874

c1cc(N2CCCC2)ccc1CNCCNCc1ccc(N2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 4/20 0.49
ALOX15 P16050 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
APP P05067 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
SNCA P37840 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CHKA P35790 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CNR1 P21554 2/20 0.44

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
SCHEMBL17832859 0.98 NCF1 (0.50) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL18179876 0.98 NCF1 (0.50) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL17832850 0.92 CXCR4 (0.49) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL16812995 0.92 CXCR4 (0.49) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL16812990 0.91 CHRM2 (0.50) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL17832857 0.88 ALDH1A1 (0.47) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL15264995 0.88 ALDH1A1 (0.50) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL11922717 0.86 HRH4 (0.53) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL19750565 0.86 MC4R (0.46) NCF1ALDH1A1KDM4EGAAMAPT
SCHEMBL8735920 0.85 HRH4 (0.60) NCF1ALDH1A1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230254-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2021-09-22 EP 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-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 NCF1 1424/4885ALDH1A1 1124/4885KDM4E 4430/4885
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 NCF1 1613/4885ALDH1A1 1111/4885KDM4E 4720/4885

“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.