SCHEMBL405355

SCHEMBL405355

CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[O-][I+2]([O-])[O-].[O-][I+2]([O-])[O-]

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.92
BCHE P06276 4/20 0.92
MEN1 O00255 4/20 0.92
BLM P54132 4/20 0.92
KMT2A Q03164 4/20 0.92
KDM4E B2RXH2 3/20 0.92
CYP3A4 P08684 3/20 0.92
MAPT P10636 3/20 0.92
THRB P10828 3/20 0.92
HPGD P15428 3/20 0.92
CASP1 P29466 3/20 0.92
RECQL P46063 3/20 0.92
CASP7 P55210 3/20 0.92
CYP1A2 P05177 1/20 0.92
CYP2D6 P10635 1/20 0.92
CYP2C9 P11712 1/20 0.92
CYP2C19 P33261 1/20 0.92
TERT O14746 3/20 0.61
MITF O75030 2/20 0.61
NSD2 O96028 2/20 0.61

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
SCHEMBL30379131 0.96 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
SCHEMBL55279 0.96 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29527724 0.95 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL5482694 0.95 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL29351886 0.95 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
SCHEMBL16331307 0.95 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL30669741 0.95 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Iodide SCHEMBL14996 0.95 ACHE (1.00) ACHEBCHEMEN1BLMKMT2A
Bromide SCHEMBL290404 0.95 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A
Water SCHEMBL9106337 0.94 ACHE (0.98) ACHEBCHEMEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164663-B Polypeptide compound, composition and use thereof 青岛双元泰和药业有限公司 2024-05-10 CN disclosed
CN-110531092-B Cell analysis system, reagent selection support device, reagent selection support method, and storage medium 希森美康株式会社 2024-04-12 CN disclosed
CN-117586214-A Linderane type sesquiterpene dimer and preparation method and application thereof 中国科学院昆明植物研究所 2024-02-23 CN disclosed
CN-117164663-A Polypeptide compound, composition and use thereof 青岛双元泰和药业有限公司 2023-12-05 CN disclosed
US-20230212247-A1 MODIFIED CXCL10 FOR IMMUNOTHERAPY OF CANCER DISEASES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-07-06 US disclosed
EP-4168431-A1 MODIFIED CXCL10 FOR IMMUNOTHERAPY OF CANCER DISEASES Technion Research & Development Foundation Limited (IL) 2023-04-26 EP disclosed
WO-2021260685-A1 MODIFIED CXCL10 FOR IMMUNOTHERAPY OF CANCER DISEASES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-12-30 WO disclosed
US-8440615-B2 Pharmaceutical and/or cosmetic composition containing active-principle activators of aconitase SOCIETE D'EXTRACTION DES PRINCIPES ACTIFS (VINCIENCE) (FR) 2013-05-14 US disclosed
US-20120263794-A1 TREATMENT OF EYE DISEASES USING ENCAPSULATED CELLS ENCODING AND SECRETING A NEUROPROTECTIVE FACTOR AND/OR AN ANTI-ANGIOGENIC FACTOR BIOCOMPATIBLE UK LTD. (GB) 2012-10-18 US disclosed
CN-102438647-A Treatment of ocular diseases using encapsulated cells encoding and secreting neuroprotective and/or anti-angiogenic factors BIOCOMPATIBLES UK LTD 2012-05-02 CN disclosed
US-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-24 US disclosed
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-25 US disclosed
US-20040151713-A1 Cell cycle regulatory factor TAIHO PHARMACEUTICAL CO., LTD. (JP) 2004-08-05 US disclosed
EP-1412317-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-28 EP disclosed
EP-1396545-A1 CELL CYCLE REGULATORY FACTOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2004-03-10 EP disclosed
US-20030078406-A1 Methods and compositions for DRM, a secreted protein with cell growth inhibiting activity THE GOVERNMENT OF THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH & HUMAN SERVICES 2003-04-24 US disclosed
WO-2003011808-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMORAL AND PROAPOPTOTIC ACTIVITIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 WO disclosed
US-20010006783-A1 METHOD AND APPARATUS FOR DETECTING BACTERIA ISOLA USA CORP. 2001-07-05 US disclosed
WO-1999049041-A1 DRM, A SECRETED PROTEIN WITH CELL GROWTH INHIBITING ACTIVITY, AND RELATED METHODS AND COMPOSITIONS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-30 WO disclosed
EP-0940472-A1 METHOD AND APPARATUS FOR DETECTING BACTERIA Organo Corporation (JP) 1999-09-08 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 (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-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities RARA, RARB, RXRA ACHE 4238/4885BCHE 4251/4885MEN1 3834/4885
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities RARA, RARB, RARG ACHE 4338/4885BCHE 4031/4885MEN1 4003/4885

“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.