SCHEMBL18179876

SCHEMBL18179876

c1cc(N2CCCCC2)ccc1CNCCNCc1ccc(N2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.48
ALOX15 P16050 3/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APP P05067 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
SNCA P37840 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHKA P35790 5/20 0.47
DPP7 Q9UHL4 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
NPC1 O15118 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
SCHEMBL18179874 0.98 NCF1 (0.51) NCF1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL17832859 0.96 NCF1 (0.50) NCF1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL16812995 0.91 CXCR4 (0.49) NCF1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL17832850 0.91 CXCR4 (0.49) NCF1ALDH1A1KDM4EMAPTALOX15
SCHEMBL15264995 0.90 ALDH1A1 (0.50) NCF1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL16812990 0.89 CHRM2 (0.50) NCF1ALDH1A1KDM4EMAPTALOX15
SCHEMBL17832857 0.86 ALDH1A1 (0.47) NCF1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL11922717 0.84 HRH4 (0.53) NCF1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL19750565 0.84 MC4R (0.46) NCF1ALDH1A1KDM4EMAPTALOX15
SCHEMBL16812993 0.83 MAPT (0.56) NCF1ALDH1A1KDM4ESMN1; SMN2MAPT

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
US-20210315895-A1 BENZATHINE ANALOGS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-10-14 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-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 (3 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-20210315895-A1 BENZATHINE ANALOGS HDAC10, CFTR, HBB NCF1 4115/4885ALDH1A1 2621/4885KDM4E 1728/4885
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.