SCHEMBL1017459

SCHEMBL1017459

c1ccc(C[N+]2(Cc3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
CALM1 P0DP23 1/20 0.43
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP2D6 P10635 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
CHRNB4 P30926 1/20 0.37

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
SCHEMBL3686301 0.90 LMNA (0.44) HIF1ACALM1TSHRALDH1A1LOXL2
SCHEMBL8965651 0.87 HTT (0.42) HIF1ACALM1ALDH1A1LOXL2IDO1
SCHEMBL8056836 0.87 HTT (0.42) HIF1ACALM1ALDH1A1LOXL2IDO1
Hydrochloric Acid SCHEMBL11775352 0.87 LMNA (0.42) HIF1ACALM1TSHRALDH1A1LOXL2
Hydrochloric Acid SCHEMBL11771900 0.85 HTT (0.41) HIF1ACALM1ALDH1A1IDO1CYP2D6
SCHEMBL13326546 0.78 HIF1A (0.58) HIF1ACALM1TSHRALDH1A1LOXL2
SCHEMBL486989 0.77 ALDH1A1 (0.52) TSHRALDH1A1TP53HPGDALOX15
SCHEMBL14587060 0.77 LMNA (0.46) HIF1ATSHRALDH1A1CYP2D6CHRNB2
SCHEMBL1964501 0.77 CHRNA7 (0.44) HIF1ATP53CYP2D6CHRNB2CHRNA4
SCHEMBL2063309 0.77 TSHR (0.41) HIF1ACALM1TSHRALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448952-B1 NOVEL GUANOSINE-RICH MODIFIED OLIGONUCLEOTIDES AND ANTIPROLIFERATIVE ACTIVITY THEREOF APTABIO THERAPEUTICS INC (KR) 2016-10-12 EP disclosed
US-9221781-B2 Synthesis of polyhydroxy chromenone compounds and their anti-tumor effects BEIJING SHENOGEN PHARAM GROUP LTD. (CN) 2015-12-29 US disclosed
US-9056886-B2 Guanosine-rich modified oligonucleotides and antiproliferative activity thereof APTABIO THERAPEUTICS INC. (KR) 2015-06-16 US disclosed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US disclosed
US-20150011618-A1 SYNTHESIS OF POLYHYDROXY CHROMENONE COMPOUNDS AND THEIR ANTI-TUMOR EFFECTS BEIJING SHENOGEN PHARMA GROUP LTD. (CN) 2015-01-08 US disclosed
US-20120202981-A1 NOVEL GUANOSINE-RICH MODIFIED OLIGONUCLEOTIDES AND ANTIPROLIFERATIVE ACTIVITY THEREOF APTABIO THERAPEUTICS INC. (KR) 2012-08-09 US disclosed
EP-2448952-A2 NOVEL GUANOSINE-RICH MODIFIED OLIGONUCLEOTIDES AND ANTIPROLIFERATIVE ACTIVITY THEREOF Aptabio Therapeutics Inc. (KR) 2012-05-09 EP disclosed
US-20110130550-A1 PROTEIN MONOMER, PROTEIN POLYMER OBTAINED FROM SAID MONOMER, AND DEVICE THAT CONTAINS THEM OSAKA UNIVERSITY (JP) 2011-06-02 US disclosed
EP-2272867-A1 PROTEIN MONOMER, PROTEIN POLYMER OBTAINED FROM SAID MONOMER, AND DEVICE THAT CONTAINS THEM Osaka University (JP) 2011-01-12 EP disclosed
WO-2011002200-A2 NOVEL GUANOSINE-RICH MODIFIED OLIGONUCLEOTIDES AND ANTIPROLIFERATIVE ACTIVITY THEREOF APTABIO THERAPEUTICS INC. (KR) 2011-01-06 WO disclosed
CN-1997361-A Antitumor agent ASTELLAS PHARMA INC (JP) 2007-07-11 CN disclosed
CN-1802155-A Nerve cell protective agent EISAI CO LTD (JP) 2006-07-12 CN disclosed
CN-1073089-C Benzodiazepine derivatives, compositions thereof and their use in the manufacture of medicaments SHIONOGI & CO (JP) 2001-10-17 CN disclosed
CN-1261895-A Cyclic azapeptide with angiogenic effect MERCK PATENT GMBH (DE) 2000-08-02 CN disclosed
CN-1143362-A Novel benzodizaepine derivative SHIONOGI & CO (JP) 1997-02-19 CN disclosed
CN-1032292-C Water-soluble antibiotic composition and water-soluble salts of new cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-17 CN disclosed
EP-0658162-A1 CARBAPENEM DERIVATIVES AND PROCESSES FOR PREPARING THE SAME DONG-A PHARM. CO., LTD. (KR) 1995-06-21 EP disclosed
CN-1041941-A The preparation method of benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1990-05-09 CN disclosed
CN-1031231-A The water soluble antibiotics composition and the water-soluble salt of new cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 1989-02-22 CN disclosed
EP-0111326-A1 Process for the manufacture of chiral azetidinones F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-20 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 (4 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-20110130550-A1 PROTEIN MONOMER, PROTEIN POLYMER OBTAINED FROM SAID MONOMER, AND DEVICE THAT CONTAINS THEM MAX, MLX, MRPL21 HIF1A 2826/4885CALM1 216/4885TSHR 2451/4885
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 HIF1A 2623/4885CALM1 1474/4885TSHR 3540/4885
US-20120202981-A1 NOVEL GUANOSINE-RICH MODIFIED OLIGONUCLEOTIDES AND ANTIPROLIFERATIVE ACTIVITY THEREOF RNMT, RNASE1, NSUN2 HIF1A 3775/4885CALM1 3107/4885TSHR 4009/4885
US-20150011618-A1 SYNTHESIS OF POLYHYDROXY CHROMENONE COMPOUNDS AND THEIR ANTI-TUMOR EFFECTS ESR1, GPER1, ESR2 HIF1A 514/4885CALM1 1928/4885TSHR 500/4885

“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.