SCHEMBL976610

SCHEMBL976610

O=C(Cl)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
KCNN4 O15554 9/20 0.52
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL1535940 0.93 KCNN4 (0.52) CYP1A2KCNN4NPSR1TSHRMAPT
SCHEMBL28464151 0.79 CYP1A2 (0.52) CYP1A2KCNN4NPSR1TSHRMAPT
SCHEMBL45520 0.78 CYP1A2 (0.56) CYP1A2KCNN4NPSR1TSHRMAPT
SCHEMBL2726979 0.78 KCNN4 (0.56) CYP1A2KCNN4NPSR1MAPTKMT2A
SCHEMBL11028286 0.77 CYP1A2 (0.50) CYP1A2KCNN4NPSR1TSHRMAPT
SCHEMBL1321231 0.77 CYP1A2 (0.70) CYP1A2KCNN4NPSR1TSHRMAPT
SCHEMBL3086830 0.77 CYP1A2 (0.56) CYP1A2KCNN4NPSR1TSHRMAPT
SCHEMBL28069521 0.77 CYP1A2 (0.50) CYP1A2KCNN4TSHRMAPTKMT2A
SCHEMBL7880822 0.76 CYP1A2 (0.54) CYP1A2KCNN4NPSR1TSHRMAPT
SCHEMBL898162 0.76 KCNN4 (0.54) CYP1A2KCNN4NPSR1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
WO-2022173375-A1 MEMBRANE COMPOSITES, METHODS AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-08-18 WO disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 EP disclosed
EP-2451806-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2016-03-09 EP disclosed
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 EP disclosed
EP-2451807-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-09-02 EP disclosed
US-9000155-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2015-04-07 US disclosed
EP-1441716-A1 ALKANE DIOL DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2004-08-04 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
WO-2003037321-A1 ALKANE DIOL DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2003-05-08 WO disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5489499-A DISCOLORATION INHIBITION, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-02-06 US disclosed
EP-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
EP-0257378-A1 Pyrimidine derivatives, their preparation and medicaments containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-02 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 (1 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-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CYP1A2 787/4885KCNN4 19/4885NPSR1 97/4885

“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.