SCHEMBL3744394

SCHEMBL3744394

N=C(N)N(CCCCCCN(C(=N)N)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
LMNA P02545 1/20 0.39
IDO1 P14902 4/20 0.39
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
PLAU P00749 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5144850 0.92 NPC1 (0.46) SIGMAR1CYP3A4ALDH1A1
SCHEMBL18741214 0.85 CYP3A4 (0.41) SIGMAR1LMNAIDO1CYP3A4HTR3E
SCHEMBL3025013 0.82 SIGMAR1 (0.36) SIGMAR1LMNAIDO1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL9615764 0.80 LMNA (0.37) SIGMAR1LMNAIDO1CYP3A4ALDH1A1
SCHEMBL11502074 0.80 SIGMAR1 (0.35) SIGMAR1LMNAIDO1CYP3A4ALDH1A1
SCHEMBL11501939 0.79 CYP3A4 (0.38) SIGMAR1LMNACYP3A4ALDH1A1CYP2C19
SCHEMBL11191152 0.76 NPC1 (0.41) CYP3A4ALDH1A1CYP2C19
SCHEMBL11801937 0.73 MLYCD (0.41) LMNAALDH1A1CYP2D6
SCHEMBL30338143 0.72 SLC6A3 (0.33) SIGMAR1
SCHEMBL10353146 0.72 NPC1 (0.38) ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016010984-A2 COMPOSITIONS AND METHODS FOR TREATING ROSACEA TISSUE TECH, INC. (US) 2016-01-21 WO claimed
US-20160008295-A1 COMPOSITIONS AND METHODS FOR TREATING ROSACEA TISSUE TECH, INC. 2016-01-14 US claimed
US-11931366-B2 Compositions and methods of use thereof for treatment of proteinopathies WASHINGTON UNIVERSITY (US) 2024-03-19 US disclosed
US-20210228591-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES WASHINGTON UNIVERSITY 2021-07-29 US disclosed
CN-110573141-A Concentrate of freshly squeezed plant juice of milfoil, its production and use 西姆莱斯有限公司 2019-12-13 CN disclosed
WO-2019204764-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES WASHINGTON UNIVERSITY (US) 2019-10-24 WO disclosed
US-10155788-B2 Cationic steroidal antimicrobial prodrug compositions and uses thereof BRIGHAM YOUNG UNIVERSITY (US) 2018-12-18 US disclosed
US-9827195-B2 Fatty acid pharmaceutical foam STIEFEL RESEARCH AUSTRALIA PTY LTD (AU) 2017-11-28 US disclosed
US-20160096864-A1 CATIONIC STEROIDAL ANTIMICROBIAL PRODRUG COMPOSITIONS AND USES THEREOF BRIGHAM YOUNG UNIVERSITY (US) 2016-04-07 US disclosed
WO-2016010984-A2 COMPOSITIONS AND METHODS FOR TREATING ROSACEA TISSUE TECH, INC. (US) 2016-01-21 WO disclosed
US-20160008295-A1 COMPOSITIONS AND METHODS FOR TREATING ROSACEA TISSUE TECH, INC. 2016-01-14 US disclosed
US-20070059253-A1 Foamable pharmaceutical compositions and methods for treating a disorder STIEFEL LABORATORIES, INC. 2007-03-15 US disclosed
US-7186416-B2 Foamable pharmaceutical compositions and methods for treating a disorder STIEFEL LABORATORIES, INC. (US) 2007-03-06 US disclosed
US-20050232957-A1 Compositions and methods for moisturizing skin TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2005-10-20 US disclosed
US-20040241099-A1 Foamable pharmaceutical compositions and methods for treating a disorder CONNETICS CORPORATION 2004-12-02 US disclosed
US-20040120990-A1 Absorbent proteins and methods for using same CUSHMAN JOHN C (US) 2004-06-24 US disclosed
US-6547063-B1 Article for the delivery of foam products THE PROCTER & GAMBLE COMPANY 2003-04-15 US disclosed
US-6283336-B1 Article for the delivery of foam products THE PROCTER & GAMBLE COMPANY 2001-09-04 US disclosed
EP-0189587-B1 METHOD OF STERILIZING RECOMBINANT MICROORGANISM SUNTORY LIMITED (JP) 1989-12-13 EP disclosed
EP-0189587-A2 Method of sterilizing recombinant microorganism SUNTORY LIMITED (JP) 1986-08-06 EP 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 (6 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-11931366-B2 Compositions and methods of use thereof for treatment of proteinopathies SERPINA2, FABP1, TTR SIGMAR1 1600/4885LMNA 403/4885IDO1 3940/4885
US-10155788-B2 Cationic steroidal antimicrobial prodrug compositions and uses thereof CYP21A2, CYP11B1, CYP11B2 SIGMAR1 929/4885LMNA 688/4885IDO1 1230/4885
US-20210228591-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES SERPINA2, FABP1, TTR SIGMAR1 1600/4885LMNA 403/4885IDO1 3940/4885
US-20160096864-A1 CATIONIC STEROIDAL ANTIMICROBIAL PRODRUG COMPOSITIONS AND USES THEREOF CYP21A2, CYP11B1, CYP11B2 SIGMAR1 929/4885LMNA 688/4885IDO1 1230/4885
US-20040241099-A1 Foamable pharmaceutical compositions and methods for treating a disorder CLN6, CYP27A1, CYP46A1 SIGMAR1 3313/4885LMNA 1119/4885IDO1 4545/4885
US-20070059253-A1 Foamable pharmaceutical compositions and methods for treating a disorder CLN6, CYP27A1, CYP46A1 SIGMAR1 3313/4885LMNA 1119/4885IDO1 4545/4885

“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.