SCHEMBL1115580

SCHEMBL1115580

CNCCCOc1cccc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
KDM4E B2RXH2 5/20 0.62
LMNA P02545 5/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.62
SLC6A4 P31645 2/20 0.60
HRH1 P35367 1/20 0.60
POLB P06746 1/20 0.59
GLRA3 O75311 2/20 0.58
GLRB P48167 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL1115678 0.95 MAPT (0.60) MAPTKDM4ELMNARAB9ANPC1
Hydrochloric Acid SCHEMBL5838632 0.94 MAPT (0.59) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL1101354 0.82 RAB9A (0.60) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL2484185 0.82 MAPT (0.68) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL2485359 0.81 RAB9A (0.75) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL9568616 0.81 MAPT (0.66) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL30982342 0.80 RAB9A (0.71) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL10460812 0.80 RAB9A (0.71) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL2484526 0.80 MAPT (0.66) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL3453971 0.80 KDM4E (0.64) MAPTKDM4ELMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO disclosed
US-8664210-B2 Aminooxime derivatives of 2- and/or 4-substituted androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2014-03-04 US disclosed
US-8609644-B2 Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-12-17 US disclosed
EP-2209795-B1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-04-24 EP disclosed
EP-2004668-B1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-03-13 EP disclosed
US-8022203-B2 Amino derivatives of beta-homoandrostanes and beta-heteroandrostanes SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-09-20 US disclosed
US-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-03-03 US disclosed
EP-2032593-B1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA TAU IND FARMACEUTI (IT) 2011-02-02 EP disclosed
US-20100324003-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-12-23 US disclosed
EP-2209795-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2010-07-28 EP disclosed
US-20090209506-A1 AMINO DERIVATIVES OF BETA-HOMOANDROSTANES AND BETA-HETEROANDROSTANES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-08-20 US disclosed
WO-2009047101-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-04-16 WO disclosed
EP-2032593-A1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-03-11 EP disclosed
EP-2004668-A2 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-12-24 EP disclosed
WO-2007147713-A1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-12-27 WO disclosed
WO-2007118832-A2 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-10-25 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 (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-20100324003-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS CYP11B2, CYP11B1, SRD5A2 MAPT 3710/4885KDM4E 2128/4885LMNA 2824/4885
US-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS PKD1, ATP1A2, ATP1A1 MAPT 3831/4885KDM4E 3995/4885LMNA 1344/4885
US-20090209506-A1 AMINO DERIVATIVES OF BETA-HOMOANDROSTANES AND BETA-HETEROANDROSTANES CYP11B2, PTGIS, PTGER1 MAPT 4808/4885KDM4E 4434/4885LMNA 1013/4885

“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.