SCHEMBL7019564

SCHEMBL7019564

NC(N)(O)COCCOCCOCCOCCOCCO

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.32

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
SCHEMBL2021694 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15459 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL11785505 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1759752 0.95
SCHEMBL27950186 0.83 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL31229193 0.83 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28054987 0.81 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7919973 0.79 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15253392 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3214310 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651275-A Novel compound in triazine class, its composition and preparation method thereof 优缔新材料科技(苏州)有限公司 2019-04-19 CN disclosed
US-9956291-B2 Nanoformulation and methods of use of thyroid receptor beta1 agonists for liver targeting MOUSA SHAKER A (US) 2018-05-01 US disclosed
EP-1273917-B1 Acridinium ester labels having hydrophilic modifiers SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-05-07 EP disclosed
US-20140017329-A1 NANOFORMULATION AND METHODS OF USE OF THYROID RECEPTOR BETA1 AGONISTS FOR LIVER TARGETING MOUSA SHAKER A (US) 2014-01-16 US disclosed
WO-2011159951-A2 TARGETING TUMOR ASSOCIATED MACROPHAGES USING BISPHOSPHONATE-LOADED PARTICLES SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-12-22 WO disclosed
US-20110311616-A1 TARGETING TUMOR ASSOCIATED MACROPHAGES USING BISPHOSPHONATE-LOADED PARTICLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-22 US disclosed
CN-101379037-A Solid Phase Synthesis of Acridine Derivatives SIEMENS MEDICAL SOLUTIONS DIAG (US) 2009-03-04 CN disclosed
US-6664043-B2 Detectable chemiluminescent acridinium ester label, comprising an acridinium ester with a hydrophilic modifier BAYER CORPORATION 2003-12-16 US disclosed
US-20030045716-A1 Acridinium ester labels having hydrophilic modifiers SIEMENS HEALTHCARE DIAGNOSTICS INC. 2003-03-06 US disclosed
EP-1273917-A2 Acridinium ester labels having hydrophilic modifiers Bayer Corporation (US) 2003-01-08 EP disclosed
US-3996269-A USEFUL AS TEXTILE TREATING AGENTS, FROM GLYCOL AMINES AND UREA ICI UNITED STATES INC. (US) 1976-12-07 US disclosed
US-3981913-A TEXTILE TREATING AGENTS, CHEMICAL INTERMEDIATES ICI UNITED STATES INC. (US) 1976-09-21 US disclosed
US-3965072-A Polyurea-urethane polymers from urea, diamines and aminoalcohols ICI UNITED STATES INC. (US) 1976-06-22 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-20030045716-A1 Acridinium ester labels having hydrophilic modifiers SRM, SMS, ACR MEN1 2049/4885KMT2A 2995/4885TSHR 664/4885
US-20110311616-A1 TARGETING TUMOR ASSOCIATED MACROPHAGES USING BISPHOSPHONATE-LOADED PARTICLES BPGM, CD209, CD47 MEN1 165/4885KMT2A 3889/4885TSHR 2744/4885

“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.